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2010 2009 2008 2007 2006 2005 2004 <2003

2010

  1. Xiaofeng Liu, Sisheng Ouyang, Biao Yu, Yabo Liu, Kai Huang, Jiayu Gong, Siyuan Zheng, Zhihua Li, Honglin Li*, and Hualiang Jiang*, PharmMapper server: a web server for potential drug target identification using pharmacophore mapping approach, Nucleic Acids Research, 2010,Vol. 38, Web Server issue W609–W614
    (Abstract) (PDF File)
  2. Guangrong Qin, Kunqian Yu,* Ting Shi, Cheng Luo, Guohui Li, Weiliang Zhu, and Hualiang Jiang, How Does Influenza Virus A Escape from Amantadine? J. Phys. Chem. B, 2010, 114, 8487–8493
    (Abstract) (PDF File)
  3. Sergio E. Alvarez, Kuzhuvelil B. Harikumar, Nitai C. Hait, Jeremy Allegood, Graham M. Strub, Eugene Y. Kim, Michael Maceyka, Hualiang Jiang, Cheng Luo, Tomasz Kordula, Sheldon Milstien & Sarah Spiegel, Sphingosine-1-phosphate is a missing cofactor for the E3 ubiquitin ligase TRAF2, Nature 2010, 465, 1084-8
    (Abstract) (PDF File)
  4. Yunxiang Lu, Yong Wang and Weiliang Zhu, Nonbonding interactions of organic halogens in biological systems: implications for drug discovery and biomolecular design, Phys. Chem. Chem. Phys. 2010, 12, 4543–4551
    (Abstract) (PDF File)
  5. Ning Li, Scott Thompson, David C. Schultz, Weiliang Zhu, Hualiang Jiang, Cheng Luo, Paul M. Lieberman, Discovery of Selective Inhibitors Against EBNA1 via High Throughput In Silico Virtual Screening, PLoS ONE 2010, Volume 5 | Issue 4, e10126
    (Abstract) (PDF File)
  6. Xiaofeng Liu, Hua Xie, Cheng Luo, Linjiang Tong, Yi Wang, Ting Peng, Jian Ding, Hualiang Jiang and Honglin Li, Discovery and SAR of Thiazolidine-2,4-dione Analogues as Insulin-like Growth Factor-1 Receptor (IGF-1R) Inhibitors via Hierarchical Virtual Screening, J. Med. Chem. 2010, 53, 2661–2665
    (Abstract) (PDF File)
  7. Yu Zhou, Yun Zhai, Xun Ji, Guannan Liu, Enguang Feng, Deju Ye, Linxiang Zhao, Hualiang Jiang and Hong Liu, Gold(I)-Catalyzed One-Pot Tandem Coupling/Cyclization: An Efficient Synthesis of Pyrrolo-/PyridoACHTUNGTRENUNG[2,1-b]benzo[d]ACHTUNGTRENUNG[1,3]oxazin- 1-ones, Adv. Synth. Catal. 2010, 352, 373 - 378
    (Abstract) (PDF File)
  8. Diliang Guo, He Huang, Yu Zhou, Jinyi Xu, Hualiang Jiang, Kaixian Chen and Hong Liu, Ligand-free iron/copper cocatalyzed N-arylations of aryl halides with amines under microwave irradiation, Green Chemistry 2010, 12, 276–281
    (Abstract) (PDF File)

2009

  1. Jing Wang, Jiande Gu and Jerzy Leszczynski, Effect of Stacking Interactions on the Spectra of the Monomer of PFBT: A Theoretical Study J. Phys. Chem. A 2009,113, 10224-10230
    (Abstract) (PDF File)
  2. Jiande Gu, Yaoming Xie, Henry F. Schaefer III, Electron attachment to oligonucleotide dimers in water: Microsolvation-assisted base-stacking forms Chem. Phys. Lett. 2009,473, 213-219
    (Abstract) (PDF File)
  3. Jiande Gu, Jing Wang, Jerzy Leszczynski, Yaoming Xie, Henry F. Schaefer III, Reply to ‘Comment on ‘To stack or not to stack: Performance of a new density functional for the uracil and thymine dimers’ [Chem. Phys. Lett. 459 (2008) 164]’ Chem. Phys. Lett. 2009,473, 209-210
    (Abstract) (PDF File)
  4. Xuejun Feng, Qianshu Li, Jiande Gu, F. Albert Cotton, Yaoming Xie and Henry F. Schaefer III, Perfluorinated Polycyclic Aromatic Hydrocarbons: Anthracene, Phenanthrene, Pyrene, Tetracene, Chrysene, and Triphenylene, J. Phys. Chem. A 2009,113, 887-894
    (Abstract) (PDF File)
  5. Deju Ye, Xu Zhang, Yu Zhou, Dengyou Zhang, Lei Zhang, HengshuaiWang, Hualiang Jiang, and Hong Liu, Gold- and Silver-Catalyzed Intramolecular Hydroamination of Terminal Alkynes: Water-Triggered Chemo- and Regioselective Synthesis of Fused Tricyclic Xanthines, Adv. Synth. Catal. 2009,351, 2770-2778
    (Abstract) (PDF File)
  6. Xiaodong Zhang, Deju Ye, Haifeng Sun, Diliang Guo, Jiang Wang, He Huang, Xu Zhang, Hualiang Jiang and Hong Liu, Microwave-assisted synthesis of quinazolinone derivatives by efficient and rapid iron-catalyzed cyclization in water, Green Chem. 2009,11, 1881–1888
    (Abstract) (PDF File)
  7. Guannan Liu, Yu Zhou, Deju Ye, Dengyou Zhang, Xiao Ding, Hualiang Jiang, and Hong Liu, Silver-Catalyzed Intramolecular Cyclization of o-(1-Alkynyl)- ACHTUNGTRENUNGbenzamides: Efficient Synthesis of (1H)-Isochromen-1-imines, Adv. Synth. Catal. 2009,351, 2605 - 2610
    (Abstract) (PDF File)
  8. Lei Zhang, Honglin Li, Qingzhang Zhu, Jun Liu, Ling Chen, Ying Leng, Hualiang Jiang, Hong Liu, Benzamide derivatives as dual-action hypoglycemic agents that inhibit glycogen phosphorylase and activate glucokinase, Bioorganic & Medicinal Chemistry 2009,17, 7301–7312
    (Abstract) (PDF File)
  9. Yu Zhou, Enguang Feng, Guannan Liu, Deju Ye, Jian Li, Hualiang Jiang, and Hong Liu, Gold-Catalyzed One-Pot Cascade Construction of Highly Functionalized Pyrrolo[1,2-a]quinolin-1(2H)-ones, J. Org. Chem. 2009,74, 7344–7348
    (Abstract) (PDF File)
  10. Yunxiang Lu, Yong Wang, Zhijian Xu, Xiuhua Yan, Xiaoming Luo, Hualiang Jiang, and Weiliang Zhu, C-X· · ·H Contacts in Biomolecular Systems: How They Contribute to Protein-Ligand Binding Affinity, J. Phys. Chem. B 2009,113, 12615–12621
    (Abstract) (PDF File)
  11. Kunqian Yu, Cheng Luo, Guangrong Qin, Zhijian Xu, Ning Li, Hong Liu, Xu Shen, Jianpeng Ma, Qinghua Wang, Caiguang Yang, Weiliang Zhu, Hualiang Jiang, Why are oseltamivir and zanamivir effective against the newly emerged influenza A virus (A/H1N1)?, Cell Research 2009,10.1038
    (PDF File)
  12. Nitai C. Hait, Jeremy Allegood, Michael Maceyka, Graham M. Strub, Kuzhuvelil B. Harikumar, Sandeep K. Singh,1 Cheng Luo, Ronen Marmorstein, Tomasz Kordula, Sheldon Milstien, Sarah Spiegel, Regulation of Histone Acetylation in the Nucleus by Sphingosine-1-Phosphate, Science, 325, 1254 (2009);
    (Abstract) (PDF File)
  13. Shuaishuai Ni, Yaxia Yuan, Jin Huang, Xiaona Mao, Maosheng Lv, Jin Zhu, Xu Shen, Jianfeng Pei, Luhua Lai, Hualiang Jiang and Jian Li, Discovering Potent Small Molecule Inhibitors of Cyclophilin A Using de Novo Drug Design Approach, J. Med. Chem. 2009, 52, 5295–5298
    (Abstract) (PDF File)
  14. Jie Shen, Weihua Li, Guixia Liu, Yun Tang, and Hualiang Jiang, Computational Insights into the Mechanism of Ligand Unbinding and Selectivity of Estrogen Receptors, J. Phys. Chem. B 2009, 113, 10436–10444
    (Abstract) (PDF File)
  15. Deju Ye, Jinfang Wang, Xu Zhang, Yu Zhou, Xiao Ding, Enguang Feng, Haifeng Sun, Guannan Liu, Hualiang Jiang and Hong Liu, Gold-catalyzed intramolecular hydroamination of terminal alkynes in aqueous media: efficient and regioselective synthesis of indole-1-carboxamides, Green Chemistry 2009, 11, 1201–1208
    (Abstract) (PDF File)
  16. Huaiyu Yang, Ye Yu, Wei-Guang Li, Tian-Le Xu, Hualiang Jiang, Conformational sampling on acid-sensing ion channel 1(ASIC1): implication for a symmetric conformation Cell Research 2009,19:1035-1037.
    (Cover) (PDF File)
  17. Honglin Li, Jin Huang, Lili Chen,Xiaofeng Liu,Tong Chen, Jin Zhu, Weiqiang Lu, Xu Shen, Jian Li, Rolf Hilgenfeld and Hualiang Jiang, Identification of Novel Falcipain-2 Inhibitors as Potential Antimalarial Agents through Structure-Based Virtual Screening J. Med. Chem. 2009,52, 4936–4940.
    (Abstract) (PDF File)
  18. Jian Zhang, Chenjing Li, Ting Shi, Kaixian Chen, Xu Shen, Hualiang Jiang, Lys169 of Human Glucokinase Is a Determinant for Glucose Phosphorylation: Implication for the Atomic Mechanism of Glucokinase Catalysis, PLoS ONE, 2009, 4 (7), e6304
    (Abstract) (PDF File)
  19. Xiao Ding, Deju Ye, Fang Liu, Guanghui Deng, Guannan Liu, Xiaomin Luo, Hualiang Jiang, and Hong Liu, Efficient Synthesis of α-Aryl / Heteroaryl Substituted β-Amino Acids via Ni (II) Complex through Suzuki Coupling Reaction. Journal of Organic Chemistry 2009,74, 5656-5659.
    (Abstract) (PDF File)
  20. He Huang, Hualiang Jiang, Kaixian Chen, and Hong Liu, A Simple and Convenient Copper-Catalyzed Tandem Synthesis of Quinoline-2-carboxylates at Room Temperature Journal of Organic Chemistry 2009,74, 5476-5480.
    (Abstract) (PDF File)
  21. Huaiyu Yang, Ye Yu, Wei-Guang Li, Fang Yu, Hui Cao, Tian-Le Xu, Hualiang Jiang, Inherent Dynamics of the Acid-Sensing Ion Channel 1 Correlates with the Gating Mechanism PLoS Biol, 2009, 7(7): e1000151
    (Abstract) (PDF File)
  22. Chul-Ho Jeong, Ann M. Bode, Angelo Pugliese, Yong-Yeon Cho, Hong-Gyum Kim, Jung-Hyun Shim, Young-Jin Jeon, Honglin Li, Hualiang Jiang, and Zigang Dong1, [6]-Gingerol Suppresses Colon Cancer Growth by Targeting Leukotriene A4 Hydrolase Cancer Res, 2009, 69(13):5584–91
    (Abstract) (PDF File)
  23. Deju Ye, Jiang Wang, Kunqian Yu, Yu Zhou, Hualiang Jiang, Kaixian Chen and Hong Liu, Current Strategies for the Discovery of K+ Channel Modulators Current Topics in Medicinal Chemistry, 2009, 9, 348-361
    (Abstract) (PDF File)
  24. Zhili Zuo, Oi Wah Liew, Gang Chen, Pek Ching Jenny Chong, Siew Hui Lee, Kaixian Chen, Hualiang Jiang, Chum Mok Puah and Weiliang Zhu, Mechanism of NS2B-Mediated Activation of NS3pro in Dengue Virus: Molecular Dynamics Simulations and Bioassays JOURNAL OF VIROLOGY, 2009, 83, 1060–1070
    (Abstract) (PDF File)
  25. Weijun Xu, Gang Chen, Oi Wah Liew, Zhili Zuo, Hualiang Jiang, Weiliang Zhu, Novel non-peptide b-secretase inhibitors derived from structure-based virtual screening and bioassay Bioorganic & Medicinal Chemistry Letters, 2009, 19, 3188–3192
    (Abstract) (PDF File)
  26. Jiang Wang, Jianmei Shi, Xiaodong Zhang, Daizong Lin, Hualiang Jiang, and Hong Liu. Highly Diastereoselective Conjugate Addition-Elimination of Chiral Ni(II) Glycinate with Activated Allylic Acetates for Asymmetric Synthesis of Glutamic Acid Derivatives. Synthesis. 2009, 10, 1744-1752.
    (Abstract) (PDF File)
  27. Yunxiang Lu, Ting Shi, Yong Wang, Huaiyu Yang, Xiuhua Yan, Xiaoming Luo, Hualiang Jiang, and Weiliang Zhu, Halogen Bonding - A Novel Interaction for Rational Drug Design?, J. Med. Chem.2009, 52 (9), 2854–2862
    (Abstract) (PDF File)
  28. Xin Ku, He Huang, Hualiang Jiang, and Hong Liu, Efficient Iron/Copper Cocatalyzed S-Arylations of Thiols with Aryl Halides, J. Comb. Chem.2009, 11 (3), 338-340
    (PDF File)
  29. Lingyan He, Liang Zhang, Xiaofeng Liu, Xianghua Li, Mingyue Zheng, Honglin Li, Kunqian Yu, Kaixian Chen, Xu Shen, Hualiang Jiang and Hong Liu, Discovering Potent Inhibitors Against the Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) of Helicobacter pylori: Structure-Based Design, Synthesis, Bioassay, and Crystal Structure Determination, J. Med. Chem.2009, 52 (8), 2465-2481
    (Abstract) (PDF File)
  30. Huaiyu Yang, Yu Shen, Junhua Chen, Qunfeng Jiang, Ying Leng a, Jianhua Shen, Structure-based virtual screening for identification of novel 11b-HSD1 inhibitors European Journal of Medicinal Chemistry 2009,44, 1167–1171.
    (Abstract) (PDF File)
  31. Ling Kang, Honglin Li, Xiaoyu Zhao, Hualiang Jiang, Xicheng Wang, A novel conformation optimization modeland algorithm for structure-based drug design,J Math Chem (2009) 46:182–198
    (Abstract) (PDF File)
  32. He Huang, Qi Jia, Jingui Ma, Guangrong Qin, Yingyi Chen, Yonghua Xi, Liping Lin, Weiliang Zhu, Jian Ding, Hualiang Jiang, and Hong Liu, Discovering novel quercetin-3-O-amino acid-esters as a new class of Src tyrosine kinase inhibitors, European Journal of Medicinal Chemistry ， 2009, 44, 1982-1988
    (Abstract) (PDF File)
  33. Enguang Feng, He Huang, Yu Zhou, Deju Ye, Hualiang Jiang and Hong Liu, Copper(I)-Catalyzed One-Pot Synthesis of 2H-1,4-Benzoxazin-3-(4H)-ones from Ortho-Halophenols and 2-Chloro-Acetamides, Journal of Organic Chemistry， 2009, 74(7), 2846-2849.
    (PDF File)
  34. Mingyue Zheng, Xiaomin Luo, Qiancheng Shen,Yong Wang, Yun Du, Weiliang Zhu and Hualiang Jiang, Site of Metabolism (SOM) Prediction for Six Biotransformations Mediated by Cytochromes P450, Bioinformatics，Vol. 25 no. 10 2009, pages 1251–1258
    (Abstract) (PDF File)
  35. Chao Zhang, Na Yang, Chun-hao Yang, Hua-sheng Ding, Cheng Luo, Yu Zhang, Mao-jiang Wu,Xiong-wen Zhang, Xu Shen, Hua-liang Jiang, Ling-hua Meng, Jian Ding, S9, a Novel Anticancer Agent, Exerts Its Anti-Proliferative Activity by Interfering with Both PI3K-Akt-mTOR Signaling and Microtubule Cytoskeleton, PLOS ONE， 4(3): e4881. doi:10.1371/journal.pone.0004881
    (Abstract) (PDF File)
  36. Deju Ye, Wenfeng Liu, Dengyou Zhang, Enguang Feng, Hualiang Jiang, and Hong Liu, Efficient Dehydrative Sialylation of C-4-Aminated Sialyl-Hemiketal Donors with PhSO/TfO, The Journal of Organic Chemistry， 2009, 74 (4), 1733-1735
    (Abstract) (PDF File)
  37. Junfeng Gu, Honglin Li, Hualiang Jiang, Xicheng Wang,A simple Ca-SC potential with higher accuracy for protein fold recognition, Biochemical and Biophysical Research Communications，Jan; 379 (2009) 610–615
    (Abstract) (PDF File)
  38. Kun Yang, Xinli Liu, Xicheng Wang, Hualiang Jiang, A steered molecular dynamics method with adaptive direction adjustments,Biochemical and Biophysical Research Communications，Jan; 379 (2009) 494–498
    (Abstract) (PDF File)

2008

  1. Huaiyu Yang, Wei Dou, Jing Lou, Ying Leng and Jianhua Shen, Discovery of novel inhibitors of 11b-hydroxysteroid dehydrogenase type 1 by docking and pharmacophore modeling Bioorganic & Medicinal Chemistry Letters 2008,18, 1340–1345.
    (Abstract) (PDF File)
  2. Xinli Liu, Xicheng Wang, Huangliang Jiang, A steered molecular dynamics method with direction optimization and its applications on ligand molecule dissociation Journal of Biochemical and Biophysical Methods，70(2008) 857-864
    (Abstract) (PDF File)
  3. 李　波, 朱维良, 陈凯先, 小檗碱及其衍生物的研究进展, 药学学报，2008, 43 (8) : 773 - 787
    (Abstract) (PDF File)
  4. Hai-hong LI, He HUANG, Xiu-hua ZHANG, Xiao-min LUO, Li-ping LIN, Hua-liang JIANG, Jian DING, Kaixian CHEN, Hong LIU, Discovering novel 3-nitroquinolines as a new class of anticancer agents, Acta Pharmacol Sin，Dec; 29 (12): 1529–1538, (2008)
    (Abstract) (PDF File)
  5. Yun Li, Pei Hao, Siyuan Zheng, Kang Tu, Haiwei Fan, Ruixin Zhu, Guohui Ding, Changzheng Dong, Chuan Wang, Xuan Li, H.-J. Thiesen, Y. Eugene Chen, Hualiang Jiang, Lei Liu and Yixue Li,Gene expression module-based chemical function similarity search, Nucleic Acids Research, Vol. 36, No. 20 e137, (2008)
    (Abstract) (PDF File)
  6. Guanghui Deng, Zhiguo Liu, Fei Ye, Xiaomin Luo, Weiliang Zhu, Xu Shen, Hong Liu, Hualiang Jiang, Tryptophan-containing dipeptide derivatives as potent PPARg antagonists: Design, synthesis, biological evaluation, and molecular modeling, European Journal of Medicinal Chemistry 43, 2699-2716, (2008)
    (Abstract) (PDF File)
  7. He Huang, Hualiang Jiang, Kaixian Chen, and Hong Liu, Efficient Iron/Copper Cocatalyzed Alkynylation of Aryl Iodides with Terminal Alkynes, J. Org. Chem., 73, 9061–9064, (2008)
    (Abstract) (PDF File)
  8. Jiang Wang, Ting Shi, Guanghui Deng, Hualiang Jiang, and Hong Liu, Highly Enantio- and Diastereoselective Mannich Reactions of Chiral Ni(II) Glycinates with Amino Sulfones. Efficient Asymmetric Synthesis of Aromatic r,-Diamino Acids, J. Org. Chem., 73, 8563 –8570, (2008)
    (Abstract) (PDF File)
  9. Guanghui Deng, Weihua Li, Jianhua Shen, Hualiang Jiang, Kaixian Chen, Hong Liu, Pyrazolidine-3,5-dione derivatives as potent non-steroidal agonists of farnesoid X receptor: Virtual screening, synthesis, and biological evaluation, Bioorganic & Medicinal Chemistry Letters 18, 5497–5502, (2008)
    (Abstract) (PDF File)
  10. Diliang Guo, He Huang, Jinyi Xu, Hualiang Jiang, and Hong Liu, Efficient Iron-Catalyzed N-Arylation of Aryl Halides with Amines, ORGANIC LETTERS. 10, 4513-4516, (2008)
    (Abstract) (PDF File)
  11. Guanghui Deng, Deju Ye, Yuanyuan Li, Lingyan He, Yu Zhou, Jiang Wang, Jia Li,Hualiang Jiang, Hong Liu, Synthesis of (S)-, (R)-, and (rac)-2-amino-3,3-bis(4-fluorophenyl)propanoic acids and an evaluation of the DPP IV inhibitory activity of Denagliptin diastereomers, Tetrahedron 64: 10512–10516, (2008)
    (Abstract) (PDF File)
  12. Yanqing Liu, Enkun Zhou, Kunqian Yu , Jin Zhu, Yu Zhang, Xin Xie , Jian Li Discovery of a Novel CCR5 Antagonist Lead Compound Through Fragment Assembly Molecules , 13, 2426-2441 , (2008)
    (Abstract) (PDF File)
  13. Ling Kang, Honglin Li, Hualiang Jiang, Xicheng Wang,An improved adaptive genetic algorithm for protein–ligand docking J Comput Aided Mol Des in press, (2008)
    (Abstract) (PDF File)
  14. He Huang, Xiuhua Yan, Weiliang Zhu, Hong Liu,Hualiang Jiang, and Kaixian Chen, Efficient Copper-Promoted N-Arylations of Aryl Halides with Amines, J. Comb. Chem. 10, 617–619 , (2008)
    (Abstract) (PDF File)
  15. Ling Kang, Honglin Li, Xiaoyu Zhao, Hualiang Jiang, Xicheng Wang, A novel conformation optimization modeland algorithm for structure-based drug design J Math Chem in press, (2008)
    (Abstract) (PDF File)
  16. M.-K. SONG, H. LIU, H.-L. JIANG, J.-M. YUE, G.-Y. HU AND H.-Z. CHEN, DISCOVERY OF TALATISAMINE AS A NOVEL SPECIFIC BLOCKER FOR THE DELAYED RECTIFIER K+ CHANNELS IN RAT HIPPOCAMPAL NEURONS Neuroscience 155 , 469–475, (2008)
    (Abstract) (PDF File)
  17. Lingyan He, Jiagao Cheng, Tao Wang, Caimei Li, Zhen Gong, Hong Liu, Bu-Bing Zeng, Hualiang Jiang, Weiliang Zhu, Cation–p complexes formed between cyclooctatetraene and alkaline earth metals: Predicted and recorded NMR features, Chemical Physics Letters 462 , 45–48 , (2008)
    (Abstract) (PDF File)
  18. Yechun Xu, Jacques-Philippe Colletier, Martin Weik, Hualiang Jiang, John Moult, Israel Silman, and Joel L. Sussman, Flexibility of Aromatic Residues in the Active-Site Gorge of Acetylcholinesterase: X-ray versus Molecular Dynamics, Biophysical Journal,95, 2500–2511 , (2008)
    (Abstract) (PDF File)
  19. Hualiang Jiang, Jiarui Wu, Lihe Zhang, Wenping Liang, Feixue Gao, Canping Du, Xuelian Feng & Yongjun Chen, Chemical biology in China takes on signal transduction, Nature Chemical Biology, 4(9), 515-518 , (2008)
    (Abstract) (PDF File)
  20. Li-Gen Lin, Hua Xie, Hong-Lin Li, Lin-Jiang Tong, Chun-Ping Tang, Chang-Qiang Ke, Qun-Fang Liu, Li-Ping Lin, Mei-Yu Geng, Hualiang Jiang, Wei-Min Zhao, Jian Ding, and Yang Ye, Naturally Occurring Homoisoflavonoids Function as Potent Protein Tyrosine Kinase Inhibitors by c-Src-Based High-Throughput Screening. J. Med. Chem. , 51, 4419–4429 , (2008)
    (Abstract) (PDF File)
  21. Tiancen Hu, Dalei Wu, Jing Chen, Jianping Ding, Hualiang Jiang, and Xu Shen, The Catalytic Intermediate Stabilized by a “Down” Active Site Loop for Diaminopimelate Decarboxylase from Helicobacter pylori, THE JOURNAL OF BIOLOGICAL CHEMISTRY. 283, 30, 21284 –21293, (2008)
    (Abstract) (PDF File)
  22. Li Du, Liangliang Shen, Zhiguo Yu, Jing Chen, Yuewei Guo, Yun Tang, Xu Shen, and Hualiang Jiang, Hyrtiosal, from the Marine Sponge Hyrtios erectus, Inhibits HIV-1 Integrase Binding to Viral DNA by a New Inhibitor BindingSite. ChemMedChem , 3, 173 – 180 (2008)
    (Abstract) (PDF File)
  23. Dalei Wu, Liang Zhang, Yunhua Kong, Jiamu Du, Shuai Chen, Jing Chen,Jianping Ding, Hualiang Jiang, and Xu Shen, Enzymatic characterization and crystal structure analysis of the D-alanine-D-alanine ligase from Helicobacter pylori. Proteins; 72:1148–116 (2008)
    (Abstract) (PDF File)
  24. 王江, 邓光辉, 柳红, 蒋华良, Ni(II)螯合物在氨基酸合成中的应用, 有机化学, 28 (7), 138～1144 (2008)
    (Abstract) (PDF File)
  25. Zhaoguang Li, Hongbin Sun, Hualiang Jiang, and Hong Liu, Copper-Catalyzed Intramolecular Cyclization to N-Substituted 1,3-Dihydrobenzimidazol-2-ones, Organic Letters, 10 (15), 3263-3266 (2008)
    (Abstract) (PDF File)
  26. He Huang, Hong Liu, Hualiang Jiang, and Kaixian Chen, Rapid and Efficient Pd-Catalyzed Sonogashira Coupling of Aryl Chlorides J. Org. Chem. 73, 6037–6040 (2008)
    (Abstract) (PDF File)
  27. Xiaoyu Zhao, Xiaofeng Liu, Yuanyuan Wang, Zhi Chen, Ling Kang, Hailei Zhang,Xiaomin Luo, Weiliang Zhu, Kaixian Chen, Honglin Li, Xicheng Wang, and Hualiang Jiang, An Improved PMF Scoring Function for Universally Predicting the Interactions of a Ligand with Protein, DNA, and RNA. J. Chem. Inf. Model. 48, 1438–1447 (2008)
    (Abstract) (PDF File)
  28. 程家高, 罗小民, 闫秀花, 李忠, 唐赟, 蒋华良, 朱维良, 阳离子-π作用的研究进展, 中国科学 B 辑:化学,38,4: 269 ~ 277 (2008)
    (Abstract) (PDF File)
  29. CHENG JiaGao, LUO XiaoMin, YAN XiuHua, LI Zhong, TANG Yun, JIANG HuaLiang1,& ZHU WeiLiang, Research progress in cation-π interactions, Science in China Series B: Chemistry, 709-717 (2008)
    (Abstract) (PDF File)
  30. 程家高, 朱维良, 王岩丽, 闫秀花, 李忠, 唐赟, 蒋华良,A型流感病毒M2通道蛋白开闭机制: His37和Trp41间的氢键及阳离子-π作用的计算研究, 中国科学 B 辑:化学,38,4: 340 ~ 346
    (2008)
    (Abstract) (PDF File)
  31. CHENG JiaGao, ZHU WeiLiang, WANG YanLi, YAN XiuHua, LI Zhong, TANG Yun& JIANG HuaLiang, The open-close mechanism of M2 channel protein in influenza A virus: A computational study on the hydrogen bonds and cation-π interactions among His37 and Trp41 , Science in China Series B: Chemistry, 768-775 (2008)
    (Abstract) (PDF File)
  32. Miao Hao, Yuqing Zhao, Peizhan Chen, He Huang, Hong Liu, Hualiang Jiang, Ruiwen Zhang, Hui Wang, Structure-Activity Relationship and Substrate-Dependent Phenomena in Effects of Ginsenosides on Activities of Drug-Metabolizing P450 Enzymes, PLoS ONE 3,7, e2697 (2008)
    (Abstract) (PDF File)
  33. Jing Ai, Xianliang Xin, Mingyue Zheng, Shuai Wang, Shuying Peng,JingLi, Limei Wang, Hualiang Jiang, Meiyu Geng,A Triad of Lys12, Lys41, Arg78 Spatial Domain, a NovelIdentified Heparin Binding Site on Tat Protein, Facilitates Tat-Driven Cell Adhesion, PLoS ONE 3,7, e2662 (2008)
    (Abstract) (PDF File)
  34. Xiao-Ling Yu, Tiancen Hu, Jia-Mu Du, Jian-Ping Ding, Xiang-Min Yang, Jian Zhang, Bin Yang, Xu Shen,Zheng Zhang, Wei-De Zhong, Ning Wen, Hualiang Jiang, Ping Zhu, and Zhi-Nan Chen, Crystal Structure of HAb18G/CD147: IMPLICATIONS FOR IMMUNOGLOBULIN SUPERFAMILY HOMOPHILIC ADHESION, THE JOURNAL OF BIOLOGICAL CHEMISTRY . 283, 26, 18056–18065, (2008)
    (Abstract) (PDF File)
  35. Deju Ye, Guanghui Deng, Wenfeng Liu, Yu Zhou, Enguang Feng, Hualiang Jiang, Hong Liu, Simultaneous 2-O-deacetylation and 4-amination of peracetylated Neu5Ac: application to the synthesis of (4/4)-piperazine derivatives linked sialic acid dimers, Tetrahedron 64, 6544–6550 (2008)
    (Abstract) (PDF File)
  36. Zhaoguang Li, He Huang, Hongbin Sun, Hualiang Jiang, and Hong Liu, Microwave-Assisted Efficient and Convenient Synthesis of 2,4(1H,3H)-Quinazolinediones and 2-Thioxoquinazolines, J. Comb. Chem., 10, 484–486 (2008)
    (Abstract) (PDF File)
  37. Shiyu Chen, He Huang, Xuejun Liu,Jingkang Shen, Hualiang Jiang, and Hong Liu , Microwave-Assisted Efficient Copper-Promoted N-Arylation of Amines with Arylboronic Acids, J. Comb. Chem. 10, 358–360 (2008)
    (Abstract) (PDF File)
  38. Xiao-Ling Yu, Tiancen Hu, Jia-Mu Du, Xiang-Min Yang, Jian Zhang, Bin Yang,Xu Shen, Zheng Zhang, Wei-De Zhong, Ning Wen, Jian-Ping Ding, Hualiang Jiang,Ping Zhu, and Zhi-Nan Chen, CRYSTAL STRUCTURE OF HAb18G/CD147: IMPLICATIONS FOR IMMUNOGLOBULIN SUPERFAMILY HOMOPHILIC ADHESION, J. Bio. Chem. , in press (2008)
    (Abstract) (PDF File)
  39. Xinli Liu, Yechun Xu, Xicheng Wang, Francisco J. Barrantes, and Hualiang Jiang,Unbinding of Nicotine from the Acetylcholine Binding Protein: Steered Molecular Dynamics Simulations, J. Phys. Chem. B, 112, 4087-4093.(2008)
    (Abstract) (PDF File)
  40. Zeng, J., Li, W., Zhao, Y., Liu, G., Tang, Y. and Jiang, H. Insights into ligand selectivity in estrogen receptor isoforms: molecular dynamics simulations and binding free energy calculations.J Phys Chem B,112: 2719-2726.(2008)
    (Abstract) (PDF File)
  41. Weihua Li, Yun Tang, Hong Liu, Jiagao Cheng, Weiliang Zhu, and Hualiang Jiang, Probing ligand binding modes of human cytochrome P450 2J2 by homology modeling, molecular dynamics simulation, and flexible molecular docking, Proteins, 71:938–949., (2008)
    (Abstract)     (PDF File)
  42. Zhao-bing GAO, Xue-qin CHEN, Hua-liang JIANG, Hong LIU, Guo-yuan HU, Electrophysiological characterization of a novel Kv channel blocker N,N’-[oxybis(2,1-ethanediyloxy-2,1-ethanediyl ) ]bis(4-methyl ) -benzenesulfonamide found in virtual screening, Acta Pharmacol Sin 29 (4): 405–412, (2008)
    (Abstract)     (PDF File)
  43. YECHUN XU, JACQUES PH. COLLETIER, HUALIANG JIANG,ISRAEL SILMAN, JOEL L. SUSSMAN,AND MARTIN WEIK, Induced-fit or preexisting equilibrium dynamics? Lessons from protein crystallography and MD simulations on acetylcholinesterase and implications for structure-based drug design. Protein Science , 17:601–605., (2008)
    (Abstract)     (PDF File)
  44. Liang Zhang, Weizhi Liu, Tiancen Hu, Li Du, Cheng Luo, Kaixian Chen, Xu Shen, and Hualiang Jiang,Structural Basis for Catalytic and Inhibitory Mechanisms of beta-Hydroxyacyl-acyl Carrier Protein Dehydratase (FabZ),JOURNAL OF BIOLOGICAL CHEMISTRY, 283, 9, 5370–5379, (2008)
    (Abstract)     (PDF File)
  45. Zhenting Gao, Honglin Li, Hailei Zhang, Xiaofeng Liu, Ling Kang, Xiaomin Luo, Weiliang Zhu, Kaixian Chen, Xicheng Wang & Hualiang Jiang. PDTD: a web-accessible protein database for drug target identification. BMC Bioinformatics 9:104 (2008)
    URL Full Text in PDF
  46. Jian Li, Deju Ye, Hong Liu, Xiaomin Luo, and Hualiang Jiang Microwave-Assisted Dehalogenation of a-Haloketones by Zinc and Ammonium Chloride in Alcohol,Synthetic Communications, 38: 567–575, (2008)
    (Abstract)     (PDF File)
  47. Xinli Liu, Yechun Xu, Honglin Li, Xicheng Wang, Hualiang Jiang, Francisco J. Barrantes, Mechanics of Channel Gating of the Nicotinic Acetylcholine Receptor,PLoS Comput Biol 4(1):e19, (2008)
    (Abstract)     (PDF File)
  48. Ling Chen ; Mingfang Zheng; Yu Zhou; Hong Liu ; Hualiang Jiang, Ionic-Liquid-Supported Total Synthesis of Sansalvamide A Peptide .Synthetic Communications, 38: 239–248, (2008)
    (Abstract)     (PDF File)
  49. Shuai Chen, Tiancen Hu, Jian Zhang, Jing Chen, Kaixian Chen, Jianping Ding, Hualiang Jiang and Xu Shen, Mutation of Gly-11 on the Dimer Interface Results in the Complete Crystallographic Dimer Dissociation of Severe Acute Respiratory Syndrome Coronavirus 3C-like Protease: CRYSTAL STRUCTURE WITH MOLECULAR DYNAMICS SIMULATIONS .J. Biol. Chem , 283. 554–564, (2008)
    (Abstract)     (PDF File)

2007

  1. Wenming Li, Jian Xue, Chunying Niu, Hongjun Fu, Colin S. C. Lam, Jialie Luo, Hugh H. N. Chan, Huaiguo Xue, Kelvin K. W. Kan, Nelson T. K. Lee, Chaoying Li, Yuanping Pang, Mingtao Li, Karl W. K. Tsim, Hualiang Jiang, Kaixian Chen, Xiaoyuan Li, and Yifan Han, Synergistic Neuroprotection by Bis(7)-tacrine via Concurrent Blockade of N-Methyl-D-aspartate Receptors and Neuronal Nitric-Oxide Synthase, Mol Pharmacol 71:1258–1267, (2007)
    (Abstract)     (PDF File)
  2. Yong-Xiang Wang, Xiang Xu, Cheng Luo, Zhang-Mei Ma, Hua-Liang Jiang,Jian-Ping Ding, and Yu-Mei Wen, A Putative New Domain Target for Anti-Hepatitis B Virus: Residues Flanking Hepatitis B Virus Reverse Transcriptase Residue 306 (rtP306),Journal of Medical Virology 79:676–682 (2007)
    (Abstract)     (PDF File)
  3. Gang Zou, Zhenting Gao, Jidong Wang, Yu Zhang, Hong Ding, Jin Huang, LiliChen, Yuewei Guo, Hualiang Jiang & Xu Shen. Deoxyelephantopin inhibits cancer cell proliferation and functions as a selective partial agonist against PPARg. Biochemical Pharmacology (2007)
    doi Full Text in PDF
  4. Jing Wang, Jiande Gu, Jerzy Leszczynski, Mikolaj Feliks, and W. Andrzej Sokalski, Oxime-Induced Reactivation of Sarin-Inhibited AChE: A Theoretical Mechanisms Study .J. Phys. Chem. B , 111, 2404-2408, (2007)
    (Abstract)     (PDF File)
  5. Yong-Xiang, Wanga Xiang Xu, Cheng Luo, Zhang-Mei Ma, Hua-Liang Jiang,Jian-Ping Ding, Yu-Mei Wen, Mutational analysis revealed that conservation of hepatitis B virus reverse transcriptase residue 306 (rtP306) is crucial for encapsidation of pregenomic RNA, FEBS Letters 581, 558–564, (2007)
    (Abstract)     (PDF File)
  6. Xiaoguang Bao, Guoming Liang, Ning-Bew Wong, and Jiande Gu, Microsolvation Pattern of the Hydrated Radical Anion of Uracil: U-(H2O)n (n ) 3-5) .J. Phys. Chem. A , 111, 666-672, (2007)
    (Abstract)     (PDF File)
  7. Jiande Gu, Jing Wang, and Jerzy Leszczynski, Iso-Guanine Quintet Complexes Coordinated by Mono Valent Cations (Na+, K+, Rb+, and Cs+).J Comput Chem 28: 1790–1795, (2007)
    (Abstract)     (PDF File)
  8. Jing Wang, Jiande Gu, and Jerzy Leszczynski,Electron detachment of the hydrogen-bonded amino acid side-chain–guanine complexes. Chemical Physics Letters 442 ,124–127 (2007)
    (Abstract)     (PDF File)
  9. Jiande Gu, Jing Wang, Janusz Rak, and Jerzy Leszczynski,Findings on the Electron-Attachment-Induced Abasic Site in a DNA Double Helix. Angew. Chem. Int. Ed. 46, 3479 –3481 (2007)
    (Abstract)     (PDF File)
  10. Ling Sun, Chong S. Chen, David J. Waxman, Hong Liu, James R. Halpert, Santosh Kumar,Re-engineering cytochrome P450 2B11dH for enhanced metabolism of several substrates including the anti-cancer prodrugs cyclophosphamide and ifosfamide. Archives of Biochemistry and Biophysics 458, 167–174 (2007)
    (Abstract)     (PDF File)
  11. Guanghui Deng, Jiang Wang, Yu Zhou, Hualiang Jiang, and Hong Liu,.One-Pot, Large-Scale Synthesis of Nickel(II) Complexes Derived from 2-[N-(r-Picolyl)amino]benzophenone (PABP) and r- or a-Amino Acids. J. Org. Chem. , 72, 8932-8934 (2007)
    (Abstract)     (PDF File)
  12. Ai-jun LU, Zhen-shan ZHANG, Ming-yue ZHENG, Han-jun ZOU, Xiao-min LUO, Hua-liang JIANG ,?3D-QSAR study of 20 (S)-camptothecin analogs . Acta Pharmacol Sin 28(2): 307–314 (2007)
    (Abstract)     (PDF File)
  13. Hanjun Zou, Cheng Luo, Suxin Zheng, Xiaomin Luo, Weiliang Zhu, Kaixian Chen, Jianhua Shen, and Hualiang Jiang,.Molecular Insight into the Interaction between IFABP and PA by using MM-PBSA and Alanine Scanning Methods. J. Phys. Chem. B 111 , 9104-9113 (2007)
    (Abstract)     (PDF File)
  14. Ling Chen, Honglin Li, Jun Liu, Luyong Zhang, Hong Liu, and Hualiang Jiang,.Discovering benzamide derivatives as glycogen phosphorylase inhibitors and their binding site at the enzyme. Bioorganic & Medicinal Chemistry 15 , 6763–6774 (2007)
    (Abstract)     (PDF File)
  15. Wei Fu, Jianhua Shen, Xiaomin Luo, Weiliang Zhu, Jiagao Cheng, Kunqian Yu, James M. Briggs, Guozhang Jin, Kaixian Chen, and Hualiang Jiang,. Dopamine D1 Receptor Agonist and D2 Receptor Antagonist Effects of the Natural Product (2)–Stepholidine: Molecular Modeling and Dynamics Simulations. Biophysical Journal , 93,1431–1441 (2007)
    (Abstract)     (PDF File)
  16. Dawei Ma, Shanghai Yu, Ben Li, Li Chen, Renhai Chen, Kunqian Yu, Linqi Zhang, Zhiwei Chen, Dafang Zhong, Zheng Gong, Renxiao Wang, Hualiang Jiang, and Gang Pei,. Synthesis and Biological Evaluation of 1,3,3,4- Tetrasubstituted Pyrrolidine CCR5 Receptor Antagonists. Discovery of a Potent and Orally Bioavailable Anti-HIV Agent, Chem Med Chem , 2, 187 – 193 (2007)
    (Abstract)     (PDF File)
  17. Jiagao Cheng, Zhen Gong, Weiliang Zhu, Yun Tang, Weihua Li, Zhong Li and Hualiang Jiang,. Cation sitting in aromatic cages: ab initio computational studies on tetramethylammonium–(benzene)n (n==3–4) complexesJ. Phys. Org. Chem. ; 20: 448–453, (2007)
    (Abstract)     (PDF File)
  18. Yang Wu, Kunqian Yu, Bin Xu, Lili Chen, Xianglong Chen, Jialing Mao, Antoine Danchin,
    Xu Shen, Di Qu and Hualiang Jiang,. Potent and selective inhibitors of Staphylococcus epidermidis tryptophanyl-tRNA synthetase Journal of Antimicrobial Chemotherapy , (2007)
    (Abstract)     (PDF File)
  19. LIANG ZHANG, WEIZHI LIU, JIANFENG XIAO, TIANCEN HU, JING CHEN, KAIXIAN CHEN, HUALIANG JIANG, AND XU SHEN,. Malonyl-CoA: acyl carrier protein transacylase from
    Helicobacter pylori: Crystal structure and its interaction with acyl carrier rotein Protein Science , 16:1184–1192.,(2007)
    (Abstract)     (PDF File)
  20. Zhili Zuo, Chen Gang, Hanjun Zou, Puah Chum Mok, Weiliang Zhu, Kaixian Chen, Hualiang Jiang,. Why does -secretase zymogen possess catalytic activity? Molecular modeling and molecular dynamics simulation studies Computational Biology and Chemistry 31, 186–195,(2007)
    (Abstract)     (PDF File)
  21. Jing-Xu Gong, Xu Shen, Li-Gong Yao, Hualiang Jiang, Karsten Krohn, and Yue-Wei Guo. Total Synthesis of Gymnorrhizol, an Unprecedented 15-Membered Macrocyclic Polydisulfide from the Chinese Mangrove Bruguiera gymnorrhiza Organic Letters 9, 1715-1716,(2007)
    (Abstract)     (PDF File)
  22. Deju Ye, Jian Li, Jian Zhang, Hong Liu, and Hualiang Jiang. Simultaneous stereoselective 4-amination with cyclic secondary amines and 2-O-deacetylation of peracetylated sialic acid derivatives Tetrahedron Letters 48, 4023–4027,(2007)
    (Abstract)     (PDF File)
  23. Mingfang Zheng, Mingyue Zheng, Deju Ye, Yangmei Deng, Shuifeng Qiu, Xiaomin Luo, Kaixian Chen, Hong Liu, and Hualiang Jiang. Indole derivatives as potent inhibitors of 5-lipoxygenase: Design, synthesis, biological evaluation, and molecular modeling Bioorganic & Medicinal Chemistry Letters 17 , 2414–2420,(2007)
    (Abstract)     (PDF File)
  24. W. Li, H. Liu, X. Luo, W. Zhu, Y. Tang, J. R. Halpert & H. Jiang. Possible Pathway(s) of Metyrapone Egress from the Active Site of Cytochrome P450 3A4: A Molecular Dynamics Simulation. Drug Metab Dispos 35, 689-696 (2007)
    View PubMed abstract of this article Full Text in PDF
  25. Tao Sun, Qi Wang, Zhiguo Yu, Yu Zhang, Yuewei Guo, Kaixian Chen, Xu Shen, and Hualiang Jiang. Hyrtiosal, a PTP1B Inhibitor fromthe Marine Sponge Hyrtios erectus, Shows Extensive
    Cellular Effects on PI3K/AKT Activation, Glucose Transport, and TGFb/Smad2 Signaling ChemBioChem , 8, 187 – 193,(2007)
    (Abstract)     (PDF File)
  26. He Huang, Hong Liu, Kaixian Chen, and Hualiang Jiang. Microwave-Assisted Rapid Synthesis of 2,6,9-Substituted Purines J. Comb. Chem. , 9, 197-199,(2007)
    (Abstract)     (PDF File)
  27. Huaiyu Yang, Yechun Xu, Weiliang Zhu, Kaixian Chen, and Hualiang Jiang. Detailed Mechanism for AmtB Conducting NH+ 4/NH3: Molecular Dynamics Simulations Biophysical Journal. 92, 877–885,(2007)
    (Abstract)     (PDF File)
  28. Xifeng Li, Dahai Zhang, Uk Lee, Xianguo Li, Jiagao Cheng, Weiliang Zhu, Jee H. Jung, Hong Dae Choi, and Byeng Wha Son. Bromomyrothenone B and Botrytinone, Cyclopentenone Derivatives from a Marine Isolate of the Fungus Botrytis J. Nat. Prod. 70, 307-309,(2007)
    (Abstract)     (PDF File)
  29. Juwen Shen, Jian Zhang, Xiaomin Luo, Weiliang Zhu, Kunqian Yu, Kaixian Chen, Yixue Li, and, and Hualiang Jiang. Predicting protein-protein interactions based only on sequences information PNAS 104(11) :4337–4341,(2007)
    (Abstract)     (PDF File)
  30. Min Huang,Heyong Gao, Yi Chen,Hong Zhu,Yujun Cai,Xiongwen Zhang,ZehongMiao, HualiangJiang, Jian Zhang, Hongwu Shen, Liping Lin,Wei Lu, andJian Ding. Chimmitecan, a Novel 9-Substituted Camptothecin, with Improved Anticancer Pharmacologic Profiles In vitro and In vivo Clin Cancer Res 13(4) :1298-1307,(2007)
    (Abstract)     (PDF File)
  31. Chunshan Gui, Weiliang Zhu, Gang Chen, Xiaomin Luo, Oi W. Liew, Chum M. Puah, Kaixian Chen, and Hualiang Jiang. Understanding the Regulation Mechanisms of PAF Receptor by Agonists and Antagonists: Molecular Modeling and Molecular Dynamics Simulation Studies PROTEINS: Structure, Function, and Bioinformatics 67:41–52,(2007)
    (Abstract)     (PDF File)
  32. Zhiyi Yao, Deju Ye, Hong Liu, and Kaixian Chen , Hualiang Jiang. Transformation of Aryl Acyloin O-Alkyl and O-Phenyl Derivatives to Ketones Synthetic Communications, 37: 149–156,(2007)
    (Abstract)     (PDF File)
  33. Fei Zheng, Rongjian Sa, Jiagao Cheng, Hualiang Jiang & Jianhua Shen. Carbocation-[pi] interaction with Car-Parrinello molecular dynamics: Ab initio molecular dynamics investigation of complex of methyl cation with benzene. Chemical Physics Letters 435, 24-28 (2007)
    URL PDF
  34. Xu-Chang He, Song Feng, Zhi-Fei Wang, Yufang Shi, Suxin Zheng, Yu Xia, Hualiang Jiang, Xi-can Tang and Donglu Bai. Study on dual-site inhibitors of acetylcholinesterase: Highly potent derivatives of bis- and bifunctional huperzine B Bioorganic & Medicinal Chemistry 15 ,1394–1408(2007)
    (Abstract)     (PDF File)
  35. Weizhi Liu , Li Du , Liang Zhang, Jing Chen, Xu Shen , Hualiang Jiang. Helicobacter pylori acyl carrier protein: Expression, purification, and its interaction with b-hydroxyacyl-ACP dehydratase Protein Expression and Purification 52， 74–81(2007)
    (Abstract)     (PDF File)
  36. Mingfang Zheng, Chenghui Xu, Jianwei Ma, Yan Sun, Feifei Du, Hong Liu, Liping Lin, Chuan Li, Jian Ding, Kaixian Chen and Hualiang Jiang. Synthesis and antitumor evaluation of a novel series of triaminotriazine derivatives Bioorganic & Medicinal Chemistry 15， 1815–1827(2007)
    (Abstract)     (PDF File)
  37. Hai-hong LI, Xiu-hua ZHANG, Jin-zhi TAN, Li-li CHEN, Hong LIU, Xiao-min LUO, Xu SHEN, Li-ping LIN, Kai-xian CHEN, Jian DING, Hua-liang JIANG. Design, synthesis, antitumor evaluations and molecular modeling studies of novel 3,5-substituted indolin-2-one derivatives Acta Pharmacol Sin. ,28 (1): 140–152, (2007)
    (Abstract)     (PDF File)
  38. Hong Liu, Zhao-Bing Gao, Zhiyi Yao, Suxin Zheng, Yang Li, Weiliang Zhu, Xiaojian Tan, Xiaomin Luo, Jianhua Shen, Kaixian Chen, Guo-Yuan Hu, and Hualiang Jiang. Discovering Potassium Channel Blockers from Synthetic Compound Database by Using Structure-Based Virtual Screening in Conjunction with Electrophysiological Assay J. Med. Chem. , 50, 83-93, (2007)
    (Abstract)     (PDF File)
  39. Cong Han, Jian Zhang, Lili Chen, Kaixian Chen, Xu Shen and Hualiang Jiang. Discovery of Helicobacter pylori shikimate kinase inhibitors: Bioassay and molecular modeling Bioorganic & Medicinal Chemistry 15 , 656–662, (2007)
    (Abstract)     (PDF File)
  40. Aijun Lu, Jian Zhang, Xiaojin Yin, Xiaomin Luo and Hualiang Jiang. Farnesyltransferase pharmacophore model derived from diverse classes of inhibitors Bioorganic & Medicinal Chemistry Letters 17, 243–249, (2007)
    (Abstract)     (PDF File)

2006

  1. Zhiqiang Qin, Jian Zhang, Bin Xu, Lili Chen, Yang Wu, Xiaomei Yang, Xu Shen, Soeren Molin, Antoine Danchin, Hualiang Jiang* and Di Qu*. Structure-based discovery of inhibitors of the YycG histidine kinase: New chemical leads to combat Staphylococcus epidermidis infections BMC Microbiology, 6:96,(2006)
    (Abstract)     (PDF File)
  2. Yechun Xu , Francisco J. Barrantes, Jianhua Shen, Xiaomin Luo, Weiliang Zhu,Kaixian Chen, Hualiang Jiang. Blocking of the Nicotinic Acetylcholine Receptor Ion Channel by Chlorpromazine, a Noncompetitive Inhibitor: A Molecular Dynamics Simulation Study. J. Phys. Chem. B , 110, 20640-20648 (2006)
    PDF
  3. Yechun Xu , Xiaomin Luo, Jianhua Shen, Weiliang Zhu,Kaixian Chen, Hualiang Jiang. Molecular Dynamics of Nicotinic Acetylcholine Receptor correlating Biological functions. Current Protein and Peptide Sciences 7, 195-200 (2006)
    PDF
  4. Weizhi Liu, Cong Han, Lihong Hu, Kaixian Chen, Xu Shen, Hualiang Jiang. Characterization and inhibitor discovery of one novel malonyl-CoA: Acyl carrier protein transacylase (MCAT) from Helicobacter pyloriFEBS Letters 580, 697–702(2006)
    (Abstract)     (PDF File)
  5. 龚珍, 贺凌燕, 柳红, 刘景根, 朱维良, 陈凯先 & 蒋华良. 一个潜在的糖尿病新靶标－GPR40. 生命科学 18, 467-472 (2006)
    PDF
  6. Santosh Kumar, Ling Sun, Hong Liu, B.K.Muralihara and James R. Halpert. Engineeringmammalian cytochrome P450 2B1 by directed evolution for enhanced catalytic
    tolerance to temperature and dimethyl sulfoxide Protein Engineering, Design & Selection 19 . 547–554, (2006)
    (Abstract)     (PDF File)
  7. Lili Chen,Jian Li, Cheng Luo, Hong Liu, Weijun Xu, Gang Chen, Oi Wah Liew, Weiliang Zhu, Chum Mok Puah,Xu Shen, and Hualiang Jiang. Binding interaction of quercetin-3-b-galactoside and its synthetic derivatives with SARS-CoV 3CLpro: Structure–activity relationship studies reveal salient pharmacophore features.Bioorganic & Medicinal Chemistry 14 : 8295–8306 (2006)
    (Abstract)     (PDF File)
  8. LILI CHEN, SHUAI CHEN, CHUNSHAN GUI, JIANHUA SHEN, XU SHEN, and HUALIANG JIANG. Discovering Severe Acute Respiratory Syndrome Coronavirus 3CL Protease Inhibitors: Virtual Screening, Surface Plasmon Resonance, and Fluorescence Resonance Energy Transfer Assays.Journal of Biomolecular Screening, in press (2006)
    (Abstract)     (PDF File)
  9. Shuai Chen, Lili Chen, Kaixian Chen, Xu Shen, and Hualiang Jiang. Techniques used for the discovery of therapeutic compounds: The case of SARS.Drug Discovery Today: Technologies | Medicinal chemistry, 3:277-283 (2006)
    (Abstract)     (PDF File)
  10. Shuai Chen, Haibin Luo, Lili Chen, Jing Chen, Jianhua Shen, Weiliang Zhu, Kaixian Chen,
    Xu Shen, and Hualiang Jiang. An Overall Picture of SARS Coronavirus (SARS-CoV) Genome-Encoded Major Proteins: Structures, Functions and Drug Development.Current Pharmaceutical Design, 12, 4539-4553 (2006)
    (Abstract)     (PDF File)
  11. Mingyue Zheng, Kunqian Yu, Hong Liu, Xiaomin Luo, Kaixian Chen, Weiliang Zhu and Hualiang Jiang. QSAR analyses on avian influenza virus neuraminidase inhibitors using CoMFA, CoMSIA, and HQSAR.J Comput Aided Mol Des 20:549–566 (2006)
    (Abstract)     (PDF File)
  12. Hongxia Duan, Zhen Gong, Jiagao Cheng, Weiliang Zhu, Kaixian Chen, and Hualiang Jiang, Induction of an Aromatic Six-Membered Nitrogen Ring via Cation-e Interaction J. Phys. Chem. A 110, 12236-12240 (2006)
    (Abstract)     (PDF File)
  13. Jiande Gu ,Yaoming Xie, and Henry F. Schaefer, III. Near 0 eV Electrons Attach to Nucleotides J. AM. CHEM. SOC. 128, 1250-1252 (2006)
    (Abstract)     (PDF File)
  14. Xiaoguang Bao, Huai Sun, Ning-Bew Wong, and Jiande Gu Microsolvation Effect, Hydrogen-Bonding Pattern, and Electron Affinity of the Uracil-Water Complexes U-(H2O)n (n ) 1, 2, 3) J. Phys. Chem. B 110, 5865-5874 (2006)
    (Abstract)     (PDF File)
  15. Xiaoguang Bao, Jing Wang, Jiande Gu, and Jerzy Leszczynski. DNA strand breaks induced by near-zero-electronvolt electron attachment to pyrimidine nucleotides PNAS103, 5658–5663 (2006)
    (Abstract)     (PDF File)
  16. Jiande Gu , Yaoming Xie, and Henry F. Schaefer III. Understanding Electron Attachment to the DNA Double Helix: The Thymidine Monophosphate-Adenine Pair in the Gas Phase and Aqueous Solution J. Phys. Chem. B 110, 19696-19703 (2006)
    (Abstract)     (PDF File)
  17. Jiande Gu , Jing Wang , Jerzy Leszczynski. Molecular Basis of the Recognition Process: Hydrogen-Bonding Patterns in the Guanine Primary Recognition Site of Ribonuclease T1J. Phys. Chem. B 110, 13590-13596(2006)
    (Abstract)     (PDF File)
  18. Jing Wang , Jiande Gu , Jerzy Leszczynski. Phosphonylation Mechanisms of Sarin and Acetylcholinesterase: A Model DFT Study J. Phys. Chem. B 110, 7567-7573(2006)
    (Abstract)     (PDF File)
  19. Jiande Gu ,Jing Wang , Jerzy Leszczynski. Electron Attachment-Induced DNA Single Strand Breaks: C3￠-O3￠ ó-Bond Breaking of Pyrimidine Nucleotides Predominates J. AM. CHEM. SOC. 128, 9322-9323(2006)
    (Abstract)     (PDF File)
  20. Jing Wang , Jiande Gu , Jerzy Leszczynski. A Model Study of Interactions Between TcAChE Peripheral Site Segment Tyr70Val71 and Loop 1 of Fasciculin 2 Journal of Biomolecular Structure & Dynamics, 23 139–148 (2006)
    (Abstract)     (PDF File)
  21. Jing Wang , Jiande Gu , Jerzy Leszczynski. Modelling interactions between Loop1 of Fasciculin2 (Fas2) and Torpedo californica acetylcholinesterase (TcAChE) Chemical Physics Letters 431 149–154 (2006)
    (Abstract)     (PDF File)
  22. Jiande Gu,Yaoming Xie, and Henry F. Schaefer III. Electron Attachment to Nucleotides
    in Aqueous Solution Chem Phys Chem 7, 1885 – 1887 (2006)
    (Abstract)     (PDF File)
  23. Santosh Kumar, Hong Liu, and James R. Halpert. Engineering of Cytochrome P450 3A4 for Enhanced Peroxide- Mediated Substrate Oxidation Using Directed Evolution and
    Site-Directed Mutagenesis DRUG METABOLISM AND DISPOSITION 34:1958–1965 (2006)
    (Abstract)     (PDF File)
  24. Zhang, Z., M. Zheng, L. Du, J. Shen, X. Luo, W. Zhu, and H. Jiang . Towards discovering dual functional inhibitors against both wild type and K103N mutant HIV-1 reverse transcriptases: molecular docking and QSAR studies on 4,1-benzoxazepinone analogues. J Comput Aided Mol Des 20, 281-293.(2006)
    URL PDF
  25. Cong Han, Lirui Wang, Kunqian Yu, Lili Chen, Lihong Hu, Kaixian Chen, Hualiang Jiang and Xu Shen. Biochemical characterization and inhibitor discovery of shikimate dehydrogenase from Helicobacter pylori FEBS Journal 273 4682–4692(2006)
    (Abstract)     (PDF File)
  26. Haibin Luo, Jing Chen, Kaixian Chen, Xu Shen, and Hualiang Jiang. Carboxyl Terminus of Severe Acute Respiratory Syndrome Coronavirus Nucleocapsid Protein: Self-Association Analysis and Nucleic Acid Binding Characterization Biochemistry , 45, 11827-11835(2006)
    (Abstract)     (PDF File)
  27. Fei Ye, Tao Sun, Haibin Luo, Hong Ding, Kaixian Chen, Xu Shen and Hualiang Jiang. Quantitative Characterization of 15-Deoxy- Delta(12,14)-Prostaglandin J2 in Regulating EGFPSmad2 Translocation in CHO Cells Through PPARγ/TGFβ/Smad2 Pathway Cell Physiol Biochem 18:143-150(2006)
    (Abstract)     (PDF File)
  28. Tao Sun , Fei Ye , Hong Ding , Kaixian Chena, Hualiang Jiang, Xu Shen. Protein tyrosine phosphatase 1B regulates TGFb1-induced Smad2 activation through PI3 kinase-dependent pathway Cytokine 35 88–94(2006)
    (Abstract)     (PDF File)
  29. Yun Tang, Weiliang Zhu, Kaixian Chen, Hualiang Jiang. New technologies in computer-aided
    drug design: Toward target identification and new chemical entity discovery Drug Discovery Today: Technologies. Vol. 3, No. 3, 307-313 (2006)
    (Abstract)     (PDF File)
  30. Natalia Mast, Dilyara Murtazina, Hong Liu, Sandra E. Graham, Ingemar Bjorkhem, James R. Halpert, Julian Peterson and Irina A. Pikuleva. Cholesterol and cholestane- -triol binding to cytochrome P450 27A1, an important enzyme in bile acid biosynthesis. Biochemistry. 45, 4396-4404 (2006)
    (Abstract)     (PDF File)
  31. Yu Zhou, Jian Li, Hong Liu, Linxiang Zhao and Hualiang Jiang. An unusual de-nitro reduction of 2-substituted-4-nitroquinolines. Tetrahedron Letters. 47, 8511-8514. (2006)
    (Abstract)     (PDF File)
  32. 李永国，柳红，王峥涛，胡之璧。中药红曲化学稳定性多成分综合评价。高等学校化学学报，27 (1)，35-38 (2006)
    (PDF File)
  33. LI Yong-guo, LIU Hong , ZHANG Fang, WANG Zheng-tao and HU Zhi-bi, Identification and Kinetics Study on the Transformation of Mevinolin in Acidic Alcohol Solution by High-performance Liquid Chromatography with Photodiode Array Detector or Mass Spectrometry. CHEM. RES. CHINESE U. 22(4), 500-504 (2006)
    (Abstract)     (PDF File)
  34. Cynthia E. Hernandez , Santosh Kumar , Hong Liu, James R. Halpert, Investigation of the role of cytochrome P450 2B4 active site residues in substrate metabolism based on crystal structures of the ligand-bound enzyme. Archives of Biochemistry and Biophysics 455,61–67 (2006)
    (Abstract)     (PDF File)
  35. Jian LI, Jin-zhi TAN, Li-li CHEN, Jian ZHANG, Xu SHEN, Chang-lin MEI, Li-li FU, Li-ping LIN, Jian DING, Bing XIONG, Xi-shan XIONG, Hong LIU, Xiao-min LUO, Hua-liang JIANG, Design, synthesis and antitumor evaluation of a new series of N-substituted- thiourea derivatives. Acta Pharmacologica Sinica 27 (9): 1259–1271 (2006)
    (Abstract)     (PDF File)
  36. 李 剑，陈玲，柳红 ，沈旭，蒋华良亲环素A抑制剂研究进展. 中国药科大学学报 37 (3)：195—200 (2006)
    (Abstract)     (PDF File)
  37. Dongxiang Liu, Yechun Xu, Yu Feng, Hong Liu, Xu Shen, Kaixian Chen, Jianpeng Ma and Hualiang Jiang, Inhibitor Discovery Targeting the Intermediate Structure of a-Amyloid Peptide on the Conformational Transition Pathway: Implications in the Aggregation Mechanism of a-Amyloid Peptide, Biochemistry , 45, 10963-10972. (2006)
    (Abstract)     (PDF File)
  38. Jianhua Cai, Cong Han, Tiancen Hu, Jian Zhang, Dalei Wu, Fangdao Wang, Yunqing Liu, Jianping Ding,Kaixian Chen, Jianmin Yue, Xu Shen and Hualiang Jiang,Peptide deformylase is a potential target for anti-Helicobacter pylori drugs: Reverse docking, enzymatic assay, and X-ray crystallography validation, Protein Science, 15:2071–2081. (2006)
    (Abstract)     (PDF File)
  39. Jian Zhang, Chenjing Li, Kaixian Chen, Weiliang Zhu, Xu Shen, Hualiang Jiang. Conformational transition pathway in the allosteric process of human glucokinase, PNAS 103 , 36, 13368–13373 (2006)
    (Abstract)     (PDF File)
  40. Tanis Hogg, Krishna Nagarajan, Saskia Herzberg, Lili Chen, Xu Shen, Hualiang Jiang, Maria Wecke, Christoph Blohmke, Rolf Hilgenfeld, and Christian L. Schmidt, Structural and Functional Characterization of Falcipain-2, a Hemoglobinase from the Malarial Parasite Plasmodium falciparum THE JOURNAL OF BIOLOGICAL CHEMISTRY 281, 35, 25425 –25437 (2006)
    (Abstract)     (PDF File)
  41. Mingyue Zheng, Zhiguo Liu, Chunxia Xue, Weiliang Zhu, Kaixian Chen, Xiaomin Luo, and Hualiang Jiang, Mutagenic Probability Estimation of Chemical Compounds by a Novel Molecular Electrophilicity Vector and Support Vector Machine BIOINFORMATICS 22, 2099–2106 (2006)
    (Abstract)     (PDF File)
  42. Jian Li, Mingyue Zheng, Wei Tang, Pei-Lan He, Weiliang Zhu, Tianxian Li, Jian-Ping Zuo, Hong Liu, and Hualiang Jiang Syntheses of triazole-modified zanamivir analogues via click
    chemistry and anti-AIV activities. Bioorganic & Medicinal Chemistry Letters 16 5009–5013 (2006)
    (Abstract)     (PDF File)
  43. Jian Zhang, Kunqian Yu, Weiliang Zhu, Hualiang Jiang. Neuraminidase pharmacophore model derived from diverse classes of inhibitors , Bioorganic & Medicinal Chemistry Letters , 16(11), 3009-3014. (2006)
    (Abstract)     (PDF File)
  44. Honglin Li, Zhenting Gao, Ling Kang, Hailei Zhang, Kun Yang, Kunqian Yu, Xiaomin Luo, Weiliang Zhu, Kaixian Chen, Jianhua Shen, Xicheng Wang & Hualiang Jiang. TarFisDock: a web server for identifying drug targets with docking approach. Nucl. Acids Res. 34, W219-224 (2006)
    URL PDF
  45. Jian Li, Jing Chen, Li Zhang, Feng Wang, Chunshan Gui, Li Zhang, Yu Qin, Qiang Xu, Hong Liu, Fajun Nan, Jingkang Shen, Donglu Bai, Kaixian Chen, Xu Shen, and Hualiang JiangOne novel quinoxaline derivative as a potent human cyclophilin A inhibitor shows highly inhibitory activity against mouse spleen cell proliferation. Bioorganic & Medicinal Chemistry 14 ,5527–5534 (2006)
    (Abstract)     (PDF File)
  46. Tanis Hogg, Krishna Nagarajan, Saskia Herzberg, Lili Chen, Xu Shen, Hualiang Jiang, Maria Wecke, Christoph Blohmke, Rolf Hilgenfeld,.and C. L. Schmidt,,STRUCTURAL AND FUNCTIONAL CHARACTERIZATION OF FALCIPAIN-2, A HEMOGLOBINASE FROM THE MALARIAL PARASITE PLASMODIUM FALCIPARUM, JBC , in Press. (2006)
    (Abstract)     (PDF File)
  47. RongJian Sa, WeiLiang Zhu, JianHua Shen, Zhen Gong, JiaGao Cheng, KaiXian Chen & HuaLiang Jiang. How does ammonium dynamically interact with benzene in aqueous media? A first principle study using the Car-Parrinello molecular dynamics method. JOURNAL OF PHYSICAL CHEMISTRY B 110, 5094-5098 (2006)
    DOI PDF
  48. Zhen Gong, Hongying Shen, Weiliang Zhu, Xiaomin Luo, Kaixian Chen & Hualiang Jiang. A computational study on electron transfer mechanism between alkaline earth metal atoms and cyclooctatetraene to form cation–p bonded complexes. Chemical Physics Letters 423,341-345(2006)
    DOI PDF
  49. Jiagao Cheng, Weiliang Zhu, Yun Tang, Yufang Xu, Zhong Li, Kaixian Chen & Hualiang Jiang. Effect of cation–p interaction on NMR: A theoretical investigation on complexes of Li+, Na+, Be2+, and Mg2+ with aromatics. Chemical Physics Letters 422, 455-460 (2006)
    DOI PDF
  50. Li Du, Zhenshan Zhang, Xiaomin Luo, Kaixian Chen, Xu Shen, and Hualiang Jiang.Binding Investigation of Human 5-Lipoxygenase with Its Inhibitors by SPR Technology Correlating with
    Molecular Docking Simulation. J. Biochem. 139, 715–723 (2006)
    (Abstract)     (PDF File)
  51. Jian Li, Jian Zhang, Jing Chen, Xiaomin Luo, Weiliang Zhu, Jianhua Shen, Hong Liu, Xu Shen, and Hualiang Jiang . Strategy for Discovering Chemical Inhibitors of Human Cyclophilin A: Focused Library Design, Virtual Screening, Chemical Synthesis and Bioassay . Journal of Combinatorial Chemistry .8, 326-337. (2006)
    (Abstract)     (PDF File)
  52. Zhiyi Yao, Xiaojie Du, Hong Liu*, Hualiang Jiang* and Kaixian Chen.Synthesis and structures of ( S )- and ( R )-2-[3-cyano-4-(2-thienyl)-5,6,7,8- tetrahydroquinolin-2 -ylsulfanyl]-3-methyl- N -phenylbutyramide. Journal of Chemical Research . 1, 3-5. (2006)
    (Abstract)     (PDF File)
  53. Ming-Ke Song, Hong Liu, Hua-Liang Jiang, Jian-Min Yue, Guo-Yuan Hu. Electrophysiological characterization of 14-benzoyltalatisamine, a selective 3 blocker of the delayed rectifier K+ channel found in virtual screening. European Journal of Pharmacology .531, 47-53 (2006)
    (Abstract)     (PDF File)
  54. Mingyue Zheng, Zhenshan Zhang, Weiliang Zhu, Hong Liu, Xiaomin Luo, Kaixian Chen and Hualiang Jiang, Essential structural profile of a dual functional inhibitor against cyclooxygenase-2 (COX-2) and 5-lipoxygenase (5-LOX): Molecular docking and 3D-QSAR analyses on DHDMBF analoguesBioorganic & Medicinal Chemistry in press (2006)
    (Abstract)     (PDF File)
  55. Haibin Luo, Dalei Wu, Can Shen, Kaixian Chen, Xu Shen , Hualiang Jiang, Severe acute respiratory syndrome coronavirus membrane protein interacts with nucleocapsid protein mostly through their carboxyl termini by electrostatic attraction The International Journal of Biochemistry & Cell Biology 38,589–599 (2006)
    (Abstract)     (PDF File)
  56. Jian Li,a, Jing Chen, Chunshan Gui, Li Zhang, Yu Qin, Qiang Xu, Jian Zhang, Hong Liu, Xu Shen and Hualiang Jiang, Discovering novel chemical inhibitors of human cyclophilin A:
    Virtual screening, synthesis, and bioassay Bioorganic & Medicinal Chemistry 14 , 2209–2224 (2006)
    (Abstract)     (PDF File)
  57. Fei Ye, Zhen-Shan Zhang, Hai-Bin Luo, Jian-Hua Shen, Kai-Xian Chen, Xu Shen & Hua-Liang Jiang. The Dipeptide H-Trp-Glu-OH Shows Highly Antagonistic Activity against PPAR gamma : Bioassay with Molecular Modeling Simulation. ChemBioChem 7, 74-82 (2006).
    DOI

2005

  1. 朱维良, 龚珍, 蒋华良 & 陈凯先. 基于基因功能的创新药物研究. 生命科学 17, 288-293 (2005)
  2. Chunying Niu, Yechun Xu, Yong Xu, Xiaomin Luo, Wenhu Duan, Israel Silman,
    Joel L. Sussman, Weiliang Zhu, Kaixian Chen, Jianhua Shen, and Hualiang Jiang, Dynamic Mechanism of E2020 Binding to Acetylcholinesterase: A Steered Molecular
    Dynamics Simulation J. Phys. Chem. B, 109, 23730-23738 (2005)
    (Abstract)     (PDF File)
  3. J. Gu, Y. Xie & H. F. Schaefer, 3rd. Glycosidic bond cleavage of pyrimidine nucleosides by low-energy electrons: a theoretical rationale. J Am Chem Soc 127, 1053-7 (2005).
    View PubMed abstract of this article
  4. J. Wang, S. Roszak, J. Gu & J. Leszczynski. Comprehensive Global Energy Minimum Modeling of the Sarin-Serine Adduct. J. Phys. Chem. B 109, 1006-1014 (2005).
    DOI
  5. J. Gu, Y. Xie & H. F. Schaefer. Structural and Energetic Characterization of a DNA Nucleoside Pair and Its Anion: Deoxyriboadenosine (dA) - Deoxyribothymidine (dT). J. Phys. Chem. B 109, 13067-13075 (2005).
    DOI
  6. J. Wang, J. Gu & J. Leszczynski. Hydrogen-Bonding Interactions in the Binding of Loop 1 of Fasciculin 2 to Torpedo californica Acetylcholinesterase: A Density Functional Theory Study. J. Phys. Chem. B 109, 13761-13769 (2005).
    DOI
  7. R. Hou, J. Gu, Y. Xie, X. Yi & H. F. Schaefer. The 2'-Deoxyadenosine-5'-phosphate Anion, the Analogous Radical, and the Different Hydrogen-Abstracted Radical Anions: Molecular Structures and Effects on DNA Damage. J. Phys. Chem. B 109, 22053-22060 (2005).
    DOI
  8. Xuemei Pu, Ning-Bew Wong, Ge Zhou, Jiande Gu & Anmin Tian. Substituent effects on the trans/cis isomerization and stability of diazenes. Chemical Physics Letters 408, 101-106 (2005).
    DOI
  9. S. S. Antollini, Y. Xu, H. Jiang & F. J. Barrantes. Fluorescence and molecular dynamics studies of the acetylcholine receptor gammaM4 transmembrane peptide in reconstituted systems. Mol Membr Biol 22, 471-83 (2005).
    View PubMed abstract of this article
  10. Jia-Gao Cheng Jun Huo Hua-Liang Jiang Kai-Xian Chen Jian-Min Yue Sheng-Ping Yang. Seven New Sesquiterpene Lactones from Eupatorium chinense . Chinese Journal of Chemistry 23, 1530-1536 (2005).
  11. H. Luo, F. Ye, K. Chen, X. Shen & H. Jiang. SR-Rich Motif Plays a Pivotal Role in Recombinant SARS Coronavirus Nucleocapsid Protein Multimerization. Biochemistry 44, 15351-15358 (2005).
    View PubMed abstract of this article
  12. J. Tan, K. H. Verschueren, K. Anand, J. Shen, M. Yang, Y. Xu, Z. Rao, J. Bigalke, B. Heisen, J. R. Mesters, K. Chen, X. Shen, H. Jiang & R. Hilgenfeld. pH-dependent conformational flexibility of the SARS-CoV main proteinase (M(pro)) dimer: molecular dynamics simulations and multiple X-ray structure analyses. J Mol Biol 354, 25-40 (2005).
    View PubMed abstract of this article
  13. Wei Huang, Xu Zhang, Hong Liu, Jianhua Shen and Hualiang Jiang, New selective O-debenzylation of phenol with Mg/MeOH Tetrahedron Letters 46 , 5965–5967 (2005)
    (Abstract)     (PDF File)
  14. Jian Zhang, Yechun Xu, Jianhua Shen, Xiaomin Luo, Jiagao Chen, Kaixian Chen, Weiliang Zhu, and Hualiang Jiang, Dynamic Mechanism for the Autophosphorylation of CheA
    Histidine Kinase: Molecular Dynamics Simulations J. AM. CHEM. SOC., 127, 11709-11719 (2005)
    (Abstract)     (PDF File)
  15. Suxin Zheng, Xiaomin Luo,Gang Chen, Weiliang Zhu, Jianhua Shen, Kaixian Chen, and
    Hualiang Jiang A New Rapid and Effective Chemistry Space Filter in Recognizing a Druglike Database J. Chem. Inf. Model. 45, 856-862 (2005)
    (Abstract)     (PDF File)
  16. Haibin Luo, Qing Chen, Jing Chen, Kaixian Chen, Xu Shen, Hualiang Jiang The nucleocapsid protein of SARS coronavirus has a high binding affinity to the human cellular heterogeneous nuclear ribonucleoprotein A1 FEBS Letters 579 , 2623–2628 (2005)
    (Abstract)     (PDF File)
  17. Cheng Luo, Lingfei Xu, Suxin Zheng, Xiaomin Luo, Jianhua Shen, Hualiang Jiang, Xifu Liu,
    and Mingdong Zhou Computational Analysis of Molecular Basis of 1:1 Interactions of NRG-1 Wild-Type and Variants With ErbB3 and ErbB4 PROTEINS: Structure, Function, and Bioinformatics 59:742–756 (2005)
    (Abstract)     (PDF File)
  18. Weihua Li, Hong Liu, Emily E. Scott, Frauke Grater, James R. Halpert, Xiaoming Luo,
    Jianhua Shen, and Hualiang Jiang. POSSIBLE PATHWAY(S) OF TESTOSTERONE EGRESS FROM THE ACTIVE SITE OF CYTOCHROME P450 2B1: A STEERED MOLECULAR DYNAMICS SIMULATION.DRUG METABOLISM AND DISPOSITION 33(7): 910-919 (2005)
    cover paperView PubMed abstract of this article(PDF)
  19. GAO Zhenting, LUO Haibin, CHEN Lili, SHEN Jianhua,CHEN Kaixian, JIANG Hualiang
    & SHEN Xu, Determining PPARγ-ligand binding affinity using fluorescent assay with cis-parinaric acid as a probe Science in China Ser. B Chemistry 48(1) 1—10 (2005)
    (Abstract)     (PDF File)
  20. Lili Chen, Chunshan Gui, Xiaomin Luo, Qingang Yang, Stephan Gu¨nther, Elke Scandella,
    Christian Drosten, Donglu Bai, Xichang He, Burkhard Ludewig, Jing Chen, Haibin Luo,
    Yiming Yang, Yifu Yang, Jianping Zou, Volker Thiel, Kaixian Chen, Jianhua Shen, Xu Shen, and Hualiang Jiang, Cinanserin Is an Inhibitor of the 3C-Like Proteinase of Severe Acute
    Respiratory Syndrome Coronavirus and Strongly Reduces Virus Replication In Vitro JOURNAL OF VIROLOGY, 79(11), 7095–7103 (2005)
    View PubMed abstract of this article
  21. Yechun Xu, Jianhua Shen, Xiaomin Luo, Weiliang Zhu, Kaixian Chen, and Hualiang Jiang, Influence of the Water Molecule on Cation-e Interaction: Ab Initio Second Order M?ller-Plesset Perturbation Theory (MP2) Calculations J. Phys. Chem. B , 109, 5945-5949(2005)
    (Abstract)     (PDF File)
  22. Yechun Xu, Jianhua Shen, Xiaomin Luo, Weiliang Zhu, Kaixian Chen, Jianpeng Ma, and Hualiang Jiang, Conformational transition of amyloid beta -peptide, PNAS, 102(15) , 5403 – 5407 (2005)
    (Abstract)     (PDF File)
  23. Gang Chen, Suxin Zheng, Xiaomin Luo, Jianhua Shen, Weiliang Zhu, Hong Liu, Chunshan Gui, Jian Zhang, Mingyue Zheng, Chum Mok Puah, Kaixian Chen, and Hualiang Jiang , Focused Combinatorial Library Design Based on Structural Diversity, Druglikeness and Binding Affinity Score, Journal of Combinatorial Chemistry ,7, 398-406, (2005)
    (Abstract)     (PDF File)
  24. Li Zhong, Xiao-Ning Guo, Xiu-Hua Zhang, Zhi-Xing Wu, Xiao-min Luo, Hua-Liang Jiang, Li-Ping Lin, Xiong-Wen Zhang, Jian Ding , Expression and purification of the catalytic domain of human vascular endothelial growth factor receptor 2 for inhibitor screening, Biochimica et Biophysica Acta 1722, 254– 261 (2005)
    (Abstract)     (PDF File)
  25. LiduoYue, FeiYe, Xiaoying Xu, Jianhua Shen, Kaixian Chen, Xu Shen, Hualiang Jiang, The conserved residue Phe273(282) of PPAR, beyond the ligand-binding site, functions in binding affinity through solvation effect, Biochimie (2005)
    (Abstract) (PDF File)
  26. Dan-Dan LI, Jun-Hua CHEN, Qing CHEN, Guo-Wei LI, Jing CHEN, Jian-Min YUE, Min-Li CHEN, Xiao-Ping WANG, Jian-Hua SHEN, Xu SHEN, Hua-Liang JIANG Swietenia Mahagony Extract Shows Agonistic Activity To PPAR And Gives Ameliorative Effects On Diabetic Db/Db Mice Acta Pharmacologica Sinica, 26, 1671-4083 (2005)
    (Abstract) (PDF File)
  27. Liduo Yue, Fei Ye, Chunshan Gui, Haibin Luo, Jianhua Cai, Jianhua Shen, Kaixian Chen, Xu Shen, And Hualiang Jiang ， Ligand-Binding Regulation Of Lxr/Rxr And Lxr/Ppar Heterodimerizations: Spr Technology-Based Kinetic Analysis Correlated With Molecular Dynamics Simulation ， Protein Science 14:812–822. (2005)
    (Abstract) (PDF File)
  28. Zhili Zuo, Xiaomin Luo, Weiliang Zhu, Jianhua Shen, Xu Shen, Hualiang Jiang and Kaixian Chen, Molecular docking and 3D-QSAR studies on the binding mechanism of statine-based peptidomimetics with b-secretase, Bioorganic & Medicinal Chemistry, 13, 2121–2131 (2005)
    (Abstract) (PDF File)
  29. Frauke Grater, Jianhua Shen, Hualiang Jiang, Mathias Gautel, and Helmut Grubmuller, Mechanically Induced Titin Kinase Activation Studied by Force-Probe Molecular Dynamics Simulations, Biophysical Journal, 88, 790–804 (2005)
    (Abstract) (PDF File)
  30. Wataru Honma, Weihua Li, Hong Liu, Emily E. Scott, James R. Halpert, Functional role of residues in the helix B' region of cytochrome P450 2B1, Archives of Biochemistry and Biophysics, 435,157–165 (2005)
    (Abstract) (PDF File)
  31. Song Feng, Zhifei Wang, Xuchang He, Suxin Zheng, Yu Xia, Hualiang Jiang, Xican Tang, and Donglu Bai, Bis-huperzine B:Highly Potentand Selective Acetylcholinesterase Inhibitors, Journal of Medicinal Chemistry., 48(3) 654-657, (2005).
    (Abstract) (PDF File)
  32. Yechun Xu, Francisco J. Barrantes, Xiaomin Luo, Kaixian Chen, Jianhua Shen, and Hualiang Jiang,. Conformational Dynamics of the Nicotinic Acetylcholine Receptor Channel: A 35-ns Molecular Dynamics Simulation Study, J. AM. CHEM. SOC., 127, 1291-1299, (2005).
  33. Changying Yu, Chunshan Gui, Haibin Luo, Lili Chen, Liang Zhang, Hao Yu, Sheng Yang, Weihong Jiang, Jianhua Shen, Xu Shen, and Hualiang Jiang. Folding of the SARS Coronavirus Spike Glycoprotein Immunological Fragment (SARS): Thermodynamic and Kinetic Investigation Correlating with Three-Dimensional Structural Modeling, Biochemistry, 44,1453-1463,(2005).
  34. Shuai Chen, Lili Chen, Jinzhi Tan, Jing Chen, Li Du, Tao Sun, Jianhua Shen, Kaixian Chen, Hualiang Jiang and Xu Shen. SARS Coronavirus 3CLpro N-terminus is Indispensable for Proteolytic Activity but Not for Enzyme Dimerization: Biochemical and Thermodynamic Investigation in Conjunction with Molecular Dynamics Simulations, JBC ,280,1, 164-173, (2005).
  35. Weiliang Zhu, Gang Chen, Lihong Hu, Xiaomin Luo, Chunshan Gui, Cheng Luo, Chum Mok Puah, Kaixian Chen and Hualiang Jiang, QSAR analyses on ginkgolides and their analogues using CoMFA, CoMSIA, and HQSAR, Bioorganic & Medicinal Chemistry, Volume 13, Issue 2 , 313-322 (2005).

2004

  1. Jiande Gu, Jing Wang, and Jerzy Leszczynski. Hydrogen Bonding in 5-Bromouracil-Adenine-5-Bromouracil-Adenine (T+AT+A) Tetrads, J. Phys. Chem. B , 108, 9277-9286, (2004 ).
  2. Jiande Gu, Jing Wang, and Jerzy Leszczynski. H-Bonding Patterns in the Platinated Guanine-Cytosine Base Pair and Guanine-Cytosine-Guanine-Cytosine Base Tetrad: an Electron Density Deformation Analysis and AIM Study, J. AM. CHEM. SOC. 126, 12651-12660, (2004 ).
  3. Jiande Gu, Yaoming Xie, and Henry F. Schaefer, Glycosidic Bond Cleavage of Pyrimidine Nucleosides by Low-Energy Electrons: A Theoretical Rationale, J. AM. CHEM. SOC. 126, , (2004 ).
  4. Jiande Gu, Jing Wang, and Jerzy Leszczynski. Cooperative Effects: Stabilization of the Isoguanine Trimer, J. Phys. Chem. B, 108, 8017-8022, (2004 ).
  5. 高振霆, 罗海彬, 陈莉莉, 沈建华, 陈凯先, 蒋华良, 沈 旭. 顺十八碳四烯酸荧光探针法研究PPARγ 与配体的结合亲和性, 中国科学, B 辑, 化学, 34 (6): 441~448, (2004 ).
  6. Emily E. Scott, Hong Liu, You Qun He, Weihua Li, and James R. Halpert. Mutagenesis and molecular dynamics suggest structural and functional roles for residues in the N-terminal portion of the cytochrome P450 2B1 I helix, Archives of Biochemistry and Biophysics, 423, 266–276, (2004 ).
  7. Yong Xu, Hong Liu, Chunying Niu, Cheng Luo, Xiaomin Luo, Jianhua Shen, Kaixian Chen and Hualiang Jiang. Molecular docking and 3D QSAR studies on 1-amino-2-phenyl-4-(piperidin-1-yl)-butanes based on the structural modeling of human CCR5 receptor, Bioorganic & Medicinal Chemistry ,12, 6193–6208, (2004 ).
  8. Xiaoqin Huang, Hong Liu, Meng Cui, Wei Fu, Kunqian Yu, Kaixian Chen, Xiaomin Luo,
    Jianhua Shen and Hualiang Jiang. Simulating the Interactions of Toxins with K+ Channels.Current Pharmaceutical Design, 10, 1057-1067, (2004 ).
  9. Weiliang Zhu, Xiaomin Luo, Chum Mok Puah, Xiaojian Tan, Jianhua Shen, Jiande Gu, Kaixian Chen & Hualiang Jiang. The Multiplicity, Strength, and Nature of the Interaction of Nucleobases with Alkaline and Alkaline Earth Metal Cations: A Density Functional Theory Investigation. J. Phys. Chem.A 108 , 4008-4018 ( 2004 ).
  10. Tong Liu, Weiliang Zhu, Jiandu Gu, Jianhua Shen, Xiaomin Luo, Gang Chen, Chum Mok Puah, Israel Silman, Kaixian Chen, Joel L. Sussman & Hualiang Jiang. Additivity of Cation-π Interactions: An ab Initio Computational Study on π-Cation-π Sandwich Complexes. J. Phys. Chem. A 108 , 9400-9405 ( 2004 ).
  11. 许叶春, 沈建华, 罗小民, 沈 旭, 陈凯先, 蒋华良, 拉伸分子动力学模拟配体-受体相互作用,中国科学, B 辑 化学, 34 (3),177~187 ( 2004 ).
  12. Qing Chen, Jing Chen, Tao Sun, Jianhua Shen, Xu Shen, Hualiang Jiang, A yeast two-hybrid technology-based system for the discovery of PPARc agonist and antagonist. Analytical Biochemistry, 335, 253–259, ( 2004 ).
  13. Haibin Luo, Fei Ye, Tao Sun, Liduo Yue, Shuying Peng, Jing Chen, Guowei Li, Yi Du, Youhua Xie, Yiming Yang, Jianhua Shen, Yuan Wang, Xu Shen,* Hualiang Jiang, In vitro biochemical and thermodynamic characterization of nucleocapsid protein of SARS. Biophysical Chemistry, 112 , 15– 25, ( 2004 ).
  14. Cheng Luo , Haibin Luo, Suxin Zheng, Chunshan Gui, Liduo Yue, Changying Yu, Tao Sun, Peilan He, Jing Chen, Jianhua Shen, Xiaomin Luo, Yixue Li, Hong Liu, Donglu Bai, Jingkang Shen, Yiming Yang, Fangqiu Li, Jianping Zuo, Rolf Hilgenfeld, Gang Pei, Kaixian Chen, Xu Shen,Hualiang Jiang Nucleocapsid protein of SARS coronavirus tightly binds to human cyclophilin A. Biochemical and Biophysical Research Communications, 321, 557–565, ( 2004 ).
      View PubMed abstract of this article
  15. H. Li, C. Li, C. Gui, X. Luo, K. Chen, J. Shen, X. Wang & H. Jiang. GAsDock: a new approach for rapid flexible docking based on an improved multi-population genetic algorithm. Bioorg Med Chem Lett 14, 4671-6 ( 2004 ).
      View PubMed abstract of this article
  16. Zhixing Wu, Gurpreet Singh Minhas, Dingyi Wen, Hualiang Jiang, Kaixian Chen, Piotr Zimniak & Jiang Zheng. Design, Synthesis, and Structure-Activity Relationships of Haloenol Lactones: Site-Directed and Isozyme-Selective Glutathione S-Transferase Inhibitors. J. Med. Chem. 47, 3282-3294 ( 2004 ).
      View PubMed abstract of this article
  17. Guixia Liu, Zhenshan Zhang, Xiaomin Luo, Jianhua Shen, Hong Liu, Xu Shen, Kaixian Chen & Hualiang Jiang. Inhibitory mode of indole-2-carboxamide derivatives against HLGPa: molecular docking and 3D-QSAR analyses. Bioorganic & Medicinal Chemistry 12, 4147-4157 ( 2004 ).
       View PubMed abstract of this article
  18. Kunqian Yu, Wei Fu, Hong Liu, Xiaomin Luo, Kai Xian Chen, Jianping Ding, Jianhua Shen, and Hualiang Jiang. Computational Simulations of Interactions of Scorpion Toxins with
    the Voltage-Gated Potassium Ion Channel. Biophysical Journal, 86, 3542–3555( 2004 ).
      
  19. C. Han, Q. Wang, L. Dong, H. Sun, S. Peng, J. Chen, Y. Yang, J. Yue, X. Shen & H. Jiang. Molecular cloning and characterization of a new peptide deformylase from human pathogenic bacterium Helicobacter pylori. Biochem Biophys Res Commun 319, 1292-8 ( 2004 ).
      View PubMed abstract of this article
  20. B. Xiong, X. Q. Huang, L. L. Shen, J. H. Shen, X. M. Luo, X. Shen, H. L. Jiang & K. X. Chen. Conformational flexibility of beta-secretase: molecular dynamics simulation and essential dynamics analysis. Acta Pharmacol Sin 25, 705-13 ( 2004 ).
      View PubMed abstract of this article
  21. G. Chen, X. Luo, W. Zhu, C. Luo, H. Liu, C. M. Puah, K. Chen & H. Jiang. Elucidating inhibitory models of the inhibitors of epidermal growth factor receptor by docking and 3D-QSAR. Bioorg Med Chem 12, 2409-17 ( 2004 ).
      View PubMed abstract of this article
  22. Bo Tan, Matthew C. Lee, Meng Cui, Tong Liu, Zhong-Zhou Chen, Yan-Mei Li, Yong Ju, Yu-Fen Zhao, Kaixian Chen & Hualiang Jiang. A common intermediate for prebiotic synthesis of proteins and nucleosides: a density functional theory (DFT) study on the formation of penta-coordinate phosphorus carboxylic-phosphoric mixed anhydride from N-phosphoryl amino acids. Journal of Molecular Structure: THEOCHEM 672, 51-60 ( 2004 ).
  23. N. A. Richardson, J. Gu, S. Wang, Y. Xie & Iii Hf Schaefer. DNA nucleosides and their radical anions: molecular structures and electron affinities. J Am Chem Soc 126, 4404-11 ( 2004 ).
      View PubMed abstract of this article
  24. C. Yu, L. Chen, H. Luo, J. Chen, F. Cheng, C. Gui, R. Zhang, J. Shen, K. Chen, H. Jiang & X. Shen. Binding analyses between Human PPARgamma-LBD and ligands. Eur J Biochem 271, 386-97 ( 2004 ).
      View PubMed abstract of this article

2003

  1. Jiande Gu and Jerzy Leszczynski; Isoguanine: From Base Pair to Tetrad, J. Phys. Chem. A 2003, 107, 9447-9455
    (Download)
  2. Jiande Gu and Jerzy Leszczynski;Isoguanine Complexes: Quintet versus Tetrad, J. Phys. Chem. B 2003, 107, 6609-6613
    (Download)
  3. YANG JIANG, BO TAN, ZHONG-ZHOU CHEN, TONG LIU, RU-GANG ZHONG, YAN-MEI LI, DAVID JEREMY STEWART, YU-FEN ZHAO, HUA-LIANG JIANG, Phosphoryl Group Differentiating α-Amino Acids From βand γ-Amino Acids in Prebiotic Peptide Formation, International Journal of Quantum Chemistry. 2003, Vol.94,No.4:232–241
    (Download)
  4. Haifang Sun, Haibin Luo, Changying Yu, Tao Sun, Jing Chen, Shuying Peng, Jun Qin, Jianhua Shen,a Yiming Yang, Youhua Xie, Kaixian Chen, Yuan Wang, Xu Shen, and Hualiang Jiang, Molecular cloning, expression, purification, and mass spectrometric characterization of 3C-like protease of SARS coronavirus, Protein Expression and Purification. 2003, Vol.32,No.2:302-308
    (Download)
  5. Hong Liu, Yang Li, Mingke Song, Xiaojian Tan, Feng Cheng, Suxin Zheng, Jianhua Shen, Xiaomin Luo, Ruyun Ji, Jianmin Yue, Guoyuan Hu, Hualiang Jiang, and Kaixian Chen,Structure-Based Discovery of Potassium Channel Blockers from Natural Products: Virtual Screening and Electrophysiological Assay Testing, Chemistry & Biology, 2003, Vol.10,No.11:1103–1113
    (Download)
  6. Fei Sun, Pengyun Li, Yi Ding, Liwei Wang, Mark Bartlam, Cuilin Shu, Beifen Shen,
    Hualiang Jiang, Song Li, and Zihe Rao,Design and Structure-Based Study of New Potential FKBP12 Inhibitors, Biophysical Journal, 2003, Vol.85,No.5:3194–3201
    (Download)
  7. Jianhua Shen, Xiaoying Xu, Feng Cheng, Hong Liu, Xiaomin Luo, Jingkang Shen, Kaixian Chen, Weimin Zhao, Xu Shen and Hualiang Jiang, Virtual Screening on Natural Products for Discovering Active Compounds and Target Information,Current Medicinal Chemistry, 2003, Vol.10,No.21:2327-2342
    (Download)
  8. Hualiang Jiang, Xiaomin Luo, and Donglu Bai, Progress in Clinical, Pharmacological, Chemical and Structural Biological Studies of Huperzine A: A Drug of Traditional Chinese Medicine Origin for the Treatment of Alzheimer's Disease, Current Medicinal Chemistry, 2003, Vol.10,No.21:2231-2252
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  9. Sang Mi Lee, Xi Feng Li,Hualiang Jiang, Jia Gao Cheng, Seeyearl Seong, Hong Dae Choid and Byeng Wha Son, Terreusinone, a novel UV-A protecting dipyrroloquinone from the marine algicolous fungus Aspergillus terreus,Tetrahedron Letters 44 (2003) 7707–7710
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  10. Jiagao Cheng, Congmin Kang, Weiliang Zhu, Xiaomin Luo, Chum Mok Puah, Kaixian Chen, Jianhua Shen, and Hualiang Jiang. N-Methylformamide-Benzene Complex as a Prototypical Peptide N-H...π Hydrogen-Bonded System: Density Functional Theory and MP2 Studies. Journal of Organic Chemistry. 2003, Vol.68, No.19, 7490-7495
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  11. Yechun Xu, Jianhua Shen, Xiaomin Luo, Israel Silman, Joel L. Sussman, Kaixian Chen, and Hualiang Jiang,How Does Huperzine A Enter and Leave the Binding Gorge of Acetylcholinesterase? Steered Molecular Dynamics Simulations J. AM. CHEM. SOC. 2003, 125, 11340-11349
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  12. XIAO YING XU, FENG CHENG, JIAN HUA SHEN, XIAO MIN LUO, LI LI CHEN, LI DUO YUE, YI DU, FEI YE, SHAN HAO JIANG, DA YUAN ZHU, HUA LIANG JIANG, KAI XIAN CHEN.Agonist–PPARγ Interactions: Molecular Modeling Study with Docking Approach.International Journal of Quantum Chemistry, 2003, 93: 405–410
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  13. Lingling Shen, Jianhua Shen, Xiaomin Luo, Feng Cheng, Yechun Xu, Kaixian Chen, Edward Arnold, Jianping Ding, and Hualiang Jiang.Steered Molecular Dynamics Simulation on the Binding of NNRTI to HIV-1 RT.Biophysical Journal,2003, 84:3547-3563
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  14. Koji Tomoo, Xu Shen, Koumei Okabe, Yoshiaki Nozoe, Shoichi Fukuhara, Shigenobu Morino, Masahiro Sasaki,Taizo Taniguchi, Hiroo Miyagawa, Kunihiro Kitamura, Kin-ichiro Miura and Toshimasa Ishida.Structural Features of Human Initiation Factor 4E,Studied by X-ray Crystal Analyses and Molecular Dynamics Simulations. J. Mol. Biol.,2003,328:365–383
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  15. Shen Xu, Xue Jian-Hua, Yu Chang-Ying, Luo Hai-Bin, Qin Lei, Yu Xiao-Jing, Chen Jing, Chen Li-Li, Xiong Bin, Yue Li-Duo, Cai Jian-Hua, Shen Jian-Hua, Luo Xiao-Min, Chen Kai-Xian, Shi Tie-Liu, Li Yi-Xue, Hu Geng-Xi, Jiang Hua-Liang. Small envelope protein E of SARS: cloning, expression, purification, CD determination, and bioinformatics analysis. Acta Pharmacol Sin, 2003, 24(6): 505-511. [0.631]
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  16. Xiong Bin, Gui Chun-Shan, Xu Xiao-Ying, Luo Cheng, Chen Jing, Luo Hai-Bin, Chen Li-Li, Li Guo-Wei, Sun Tao, Yu Chang-Ying, Yue Li-Duo, Duan Wen-Hu, Shen Jing-Kang, Qin Lei, Shi Tie-Liu, Li Yi-Xue, Chen Kai-Xian, Luo Xiao-Min, Shen Xu, Shen Jian-Hua, Jiang Hua-Liang. A 3D model of SARS_CoV 3CL proteinase and its inhibitors design by virtual screening. Acta Pharmacol Sin, 2003, 24(6): 497-504. [0.631]
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  17. Qin Lei, Xiong Bin, Luo Cheng, Guo Zong-Ming, Hao Pei, Su Jiong, Nan Peng, Feng Ying, Shi Yi-Xiang, Yu Xiao-Jing, Luo Xiao-Min, Chen Kai-Xian, Shen Xu, Shen Jian-Hua, Zou Jian-Ping, Zhao Guo-Ping, Shi Tie-Liu, He Wei-Zhong, Zhong Yang, Jiang Hua-Liang, Li Yi-Xue. Identification of probable genomic packaging signal sequence from SARS-CoV genome by bioinformatics analysis. Acta Pharmacol Sin, 2003, 24(6): 489-496. [0.631]
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  18. Yu Xiao-Jing, Luo Cheng, Lin Jian-Cheng, Hao Pei, He You-Yu, Guo Zong-Ming, Qin Lei, Su Jiong, Liu Bo-Shu, Huang Yin, Nan Peng, Li Chuan-Song, Xiong Bin, Luo Xiao-Min, Zhao Guo-Ping, Pei Gang, Chen Kai-Xian, Shen Xu, Shen Jian-Hua, Zou Jian-Ping, He Wei-Zhong, Shi Tie-Liu, Zhong Yang, Jiang Hua-Liang, Li Yi-Xue. Putative hAPN receptor binding sites in SARS_CoV spike protein. Acta Pharmacol Sin, 2003, 24(6): 481-488. [0.631]
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  19. Weiliang Zhu, Xiaojian Tan, Jianhua Shen, Xiaomin Luo, Feng Cheng, Puah Chum Mok, Ruyun Ji, Kaixian Chen, Hualiang Jiang. Differentiation of Cation-p Bonding from Cation-p Interactions: A Quantum Chemistry Study Using Density-Functional Theory and Morokuma Decomposition Methods. J. Phys. Chem. A, 2003, 2296-2303.
  20. 成峰,沈建华,罗小民,沈竞康,杨一鸣,沈旭,蒋华良,陈凯先. PPARγ激动剂的研究进展. Chinese Journal of Medicinal Chemistry 2003, 13(2): 110-118.
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  21. Kishor K.Khan, Hong Liu, James R.halpert. Homotropic versus heterotopic cooperativity of cytochrome P450eryF: A substrate oxidation and spectral titration study. Drug Metabolism and Disposition, 2003, 31(4): 356-359. [1.989]
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  22. Margit Spatzenegger, Hong Liu, Qinmi Wang, Andrea Debarber, Dennis R. Koop, James R. Halpert. Analysis of Differential Substrate Selectivities of CYP2B6 and CYP2E1 by Site-Directed Mutagenesis and Molecular Modeling. Journal of Pharmacology and Experimental Therapeutics, 2003, 304(1): 477-487. [3.432]
    cover paper
  23. Santosh Kumar, Emily E. Scott, Hong Liu, James R. Halpert. A rational approach to re-engineer cytochrome P450 2B1 regioselectivity based on the crystal structure of cytochrome P450 2C5. Journal Biological Chemistry, 2003, 278(19): 17178-17184. [7.452]
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  24. Xiaoqin Huang, Jianhua Shen, Meng Cui, Lingling Shen, Xiaomin Luo, Kun Ling, Gang Pei, Hualiang Jiang, Kaixian Chen. Molecular Dynamics Simulations on SDF-1a Binding with CXCR4 Receptor. Biophys. J. 2003, 84:171-184. [4.636]
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2002

  1. Koji TOMOO, Xu SHEN, Koumei OKABE, Yoshiaki NOZOE, Shoichi FUKUHARA, Shigenobu MORINO, Toshimasa ISHIDA,Taizo TANIGUCHI, Hiroshi HASEGAWA, Akira TERASHIMA, Masahiro SASAKI, Yoshio KATSUYA, Kunihiro KITAMURA,Hiroshi MIYOSHIs, Masahide ISHIKAWAs and Kin-ichiro MIURAs. Crystal structures of 7-methylguanosine 5′-triphosphate (m7GTP)- and P1-7-methylguanosine-P3-adenosine-5′,5′-triphosphate (m7GpppA)-bound human full-length eukaryotic initiation factor 4E: biological importance of the C-terminal flexible region. Biochem. J.,2002,362:539-544
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  2. F. Albert Cotton, Nadine E. Gruhn, Jiande Gu, Penglin Huang, Dennis L. Lichtenberger, Carlos A. Murillo, Laura O. Van Dorn, Chad C. Wilkinson. Closed-Shell Molecules That Ionize More Readily Than Cesium. Science, 2002, 298: 1971-1974. [23.329]
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  3. Meng Cui, Jianhua Shen, James M. Briggs, Wei Fu, Jingjiang Wu, Yingmin Zhang, Xiaomin Luo, Zhengwu Chi, Ruyun Ji, Hualiang Jiang, Kaixian Chen. Brownian Dynamics Simulations of the Recognition of the Scorpion Toxin P05 with the Small-conductance Calcium-activated Potassium Channels. J. Mol. Biol. 2002, 318: 417-428. [5.388]
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  4. Feng Cheng, Jianhua Shen, Xiaomin Luo, Hualiang Jiang, Kaixian Chen. Steered Molecular Dynamics Simulations on the “Tail Helix Latch” Hypothesis in the Gelsolin Activation Process. Biophys. J. 2002, 83(2): 753-762. [4.636]
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  5. Wei Fu, Meng Cui, James M. Briggs, Xiaoqin Huang, Bing Xiong, Yingmin Zhang, Xiaomin Luo, Jianhua Shen, Ruyun Ji, Hualiang Jiang, Kaixian Chen. Brownian Dynamics Simulations of the Recognition of the Scorpion Toxin Maurotoxin with the Voltage-gated Potassium Ion Channels. Biophys. J. 2002, 83(5): 2370-2385. [4.636]
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  6. Hay Dvir, Hualiang Jiang, Michal Harel, Dong Lu Bai, Xu Chang He, Xi Chan Tang, Israel Silman, Joel L Sussman. X-ray Structures of Torpedo californica Acetylcholinesterase Complexed with (+)-Huperzine A and (-)-Huperzine B: Structural Evidence for an Active Site Rearrangement. Biochemistry, 2002, 41(35): 10810-10818. [4.114]
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  7. Xiaoqin Huang, Liaosa Xu, Xiaomin Luo, Kangnian Fan, Ruyun Ji, Gang Pei, Kaixian Chen, Hualiang Jiang. Elucidating the Inhibiting Mode of AHPBA Derivatives against HIV-1 Protease and Building Predictive 3D-QSAR Models. J. Med. Chem., 2002, 45(2): 333-343. [4.139]
    (Download)
  8. Hong Liu, Ming Ji, Xiaomin Luo, Jianhua Shen, Xiaoqin Huang, Weiyi Hua, Hualiang Jiang, Kaixian Chen. New p-Methylsulfonamido Phenylethylamine Analogues as Class III Antiarrhythmic Agents: Design, Synthesis, Biological Assay and 3D-QSAR Analysis. J. Med. Chem., 2002, 45(14): 2953-2969. [4.139]
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  9. Hong Liu, Xiaoqing Huang, Jianhua Shen, Xiaomin Luo, Minghui Li, Bing Xiong, Gang Chen, Jingkang Shen, Yiming Yang, Hualiang Jiang, Kaixian Chen. Inhibitory Mode of 1,5-Diarylpyrazole Derivatives against Cyclooxygenase-2 and Cyclooxygenase-1: Molecular Docking and 3D-QSAR Analyses. J. Med. Chem., 2002, 45(22): 4816-4827. [4.139]
    (Download)
  10. Meng Cui, Xiaoqin Huang, Xiaomin Luo, James M. Briggs, Ruyun Ji, Kaixian Chen, Jianhua Shen, Hualiang Jiang. Molecular Docking and 3D-QSAR Studies on Gag Peptide Analogue Inhibitors Interacting with Human Cyclophilin A. J. Med. Chem. 2002, 45: 5249-5259. [4.139]
    (Download)
  11. Feng Cheng, Ruihao Zhang, Xiaomin Luo, Jianhua Shen, Xin Li, Jiande Gu, Weiliang Zhu, Jingkang Shen, Irit Sagi, Ruyun Ji, and Kaixian Chen, Hualiang Jiang. Quantum Chemistry Study on the Interaction of the Exogenous Ligands and the Catalytic Zinc Ion in Matrix Metalloproteinases. J. Phys. Chem. B. 2002, 106: 4552-4559.[3.379]
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  12. Meng Cui, Waldemar Adam, Jian Hua Shen, Xiao Min Luo, Xiao Jian Tan, Kai Xian Chen, Ru Yun Ji, Hua Liang Jiang. A Density-Functional Study of the Mechanism for the Diastereoselective Epoxidation of Chiral Allylic Alcohols by the Titanium Peroxy Complexes. J. Org. Chem. 2002, 67, 1427-1435. [3.280]
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  13. Tong Liu, Jiande Gu, Xiao-Jian Tan, Wei-Liang Zhu, Xiao-Min Luo, Hua-Liang Jiang, Ru-Yun Ji, Kai-Xian Chen, Israel Silman, Joel L. Sussman. The Relationship between Binding Models of TMA with Furan and Imidazole and the Molecular Electrostatic Potentials: DFT and MP2 Computational Studies. J. Phys. Chem. A., 2002, 106(1): 157-164. [2.63]
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  14. Jiande Gu, Jerzy Leszczynski. Origin of Na+/K+ Selectivity of the Guanine Tetraplexes in Water: The Theoretical Rationale. J. Phys. Chem. A., 2002, 106(3): 529-532. [2.63]
    (Download)
  15. Jiande Gu, Jerzy Leszczynski. A novel motif of the cytosine tetrad: A theoretical study. Chem. Phys. Lett. 2002, 351(5-6): 403-409. [2.364]
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  16. Jing Wang, Jiande Gu, Anmin Tian. The mechanisms of the thermal decomposition of 5-nitro-1-hydrogen-tetrazole: ab initio MD and quantum chemistry studies. Chem. Phys. Lett., 2002, 351(5-6): 459-468. [2.364]
    (Download)
  17. Weiliang Zhu, Tong Liu, Jianhua Shen, Xiaomin Luo, Xiaojian Tan, Chum Mok Puah, Hualiang Jiang, Kaixian Chen. The interaction model between metal cation and tropylium: a quantium chemistry predication. Chem. Phys. Lett., 2002, 366: 267-273. [2.364]
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  18. Feng Cheng, Jianhua Shen, Xiaomin Luo, Weiliang Zhu, Jiande Gu, Ruyun Ji, Hualiang Jiang, Kaixian Chen. Molecular Docking and 3D-QSAR Studies on the Possible Antimalarial Mechanism of Artemisinin Analogues. Bioorg. Med. Chem., 2002, 10(9): 2883-2891. [1.747]
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  19. Biao Jiang, Wen-Nan Xiong, Cai-Guang Yang, Hua-Liang Jiang, Feng Cheng, Kai-Xian Chen. Structure-Based 3-D-QSAR Analysis of Marine Indole Alkaloids. Bioorgan. Med. Chem., 2002, 10(8): 2775-2778. [1.747]
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  20. Jing Wang, Jian-De Gu, An-Min Tian. The Mechanisms of Thermal Decomposition of 5-Nitro-1-hydrogen-tetrazole: A Density Function Theory Study. Acta Chimica Sinica, 2002, 60(4): 590-595. [0.53]
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  21. Xiaomin Luo, Cheng Feng, Xiaojian Tan, Changheng Tan, Dayuan Zhu, Jianhua Shen, Xiaoqin Huang, Tong Liu, Kaixian Chen, Hualiang Jiang, Weiliang Zhu, Chum Mok Puah, Hay Dvir, Michal Harel, Joel L. Sussman, Israel Silman. Structural Feature of AChE Inhibitor Huperzine B in Nature and in the Binding Site of AChE: Density Functional Theory Study Combined with IR Determination. J. Theor. Comp. Chem., 2002, 1: 81-92 (invited paper).
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  22. Xiaoqin Huang, Jianhua Shen, Meng Cui, Lingling Shen, Xiaomin Luo, Kun Ling, Gang Pei, Hualiang Jiang, Kaixian Chen. Molecular Dynamics Simulations on SDF-1a Binding with CXCR4 Receptor. Biophys. J., 2002, in press. [4.636]

Before 2002
(selected, anti-chronologically ordered)

  1. Xu SHEN,Koji TOMOO,Susumu UCHIYAMA, Yuji KOBAYASHI,and Toshimasa ISHIDA. Structural and Thermodynamic Behavior of Eukaryotic Initiation Factor 4E in Supramolecular Formation with 4E-Binding Protein 1 and mRNA Cap Analogue, Studied by Spectroscopic Methods. Chem. Pharm. Bull.,2001, 49(10):1299-1303
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  2. Xaioqin Huang, Liaosa Xu, Xiaomin Luo, Kangnian Fan, Ruyun Ji, Gang Pei , Kaixian Chen, Hualiang Jiang. Elucidating the Inhibiting Mode of AHPBA Derivatives against HIV-1 Protease and Building Predictive 3D-QSAR Models. J. Med. Chem. 2001, in press.
  3. Xiao Jian Tan, Wei Liang Zhu, Meng Cui, Xiao Min Luo, Jian De Gu, Israel Silman, Joel L. Sussman, Hua Liang Jiang, Ru Yun Ji, Kai Xian Chen. Noncovalent Interaction or Chemical Bonding between Alkaline Earth Cations and Benzene? A Quantum Chemistry Study using MP2 and Density-Functional Theory Methods. Chem. Phys. Lett.2001, in press.
  4. Meng Cui, Waldemar Adam, Jian Hua Shen, Xiao Min Luo, Xiao Jian Tan, Kai Xian Chen, Ru Yun Ji, and Hua Liang Jiang. Structures Features and Diastereoselectivities for the Epoxidations of Methyl-Substituted Chiral Allylic Alcohols by Titanium Peroxy Complex. A Density Functional Study. J. Org. Chem. 2001, in press.
  5. Tong Liu, Jiande Gu, Xiao-Jian Tan, Wei-Liang Zhu, Xiao-Min Luo, Hua-Liang Jiang, Ru-Yun Ji, Kai-Xian Chen, Israel Silman, Joel L Sussman. The Relationship between Binding Models of TMA with Furan and Imidazole and the Molecular Electrostatic Potentials: DFT and MP2 Computational Studies. J. Phys. Chem. 2001, in press.
  6. Meng Cui1, Jianhua Shen, James M. Briggs, Xiaojian Tan, Hualiang Jiang, Kaixian Chen, Luyun Ji. Brownian Dynamics Simulations of Interactions Between Scorpion Toxin Lq2 and Potassium Ion Channel. Biophys. J. 2001, 80: 1659-1669.
  7. Xiaoqin Huang, Tong Liu, Jiande Gu, Xiaomin Luo, Ruyun Ji, Yang Cao, Hong Xue, Bing L. Wong, Gang Pei, Hualiang Jiang, Kaixian Chen. 3D-QSAR model of flavonoids binding at benzodiazepine site in GABAA receptors. J. Med. Chem. 2001, 44: 1883-1891.
  8. Clifford Felder, Hua-Liang Jiang, Wei-Liang Zhu, Kai-Xian Chen, Israel Silman, Simone A. Botti1, and Joel L. Sussman. A Quantum/Classical Mechanical Comparison of Cation-Pi Interactions Between Tetramethylammonium and Benzene. J. Phys. Chem. A. 2001, 105: 1326-1333.
  9. Wei-Liang Zhu, Chum Mok Puah, Xiao-Jian Tan, Hua-Liang Jiang, Kai-Xian Chen. Quantum chemistry investigation on the dihydrogen bond between silicane and ammonium. J. Phys. Chem. B. 2001,105: 426-431.
  10. Tong Liu, Jiande Gu, Xiao-Jian Tan, Wei-Liang Zhu, Xiao-Min Luo, Hua-Liang Jiang, Ru-Yun Ji, Kai-Xian Chen, Israel Silman, and Joel L Sussman. Theoretical Insight into the Interactions of TMA-Benzene and TMA-Pyrrole with B3LYP Density-Functional Theory (DFT) and ab Initio Second Order M?ler-Plesset Perturbation Theory (MP2) Calculations. J. Phys. Chem. 2001, 105: 5431-5437.
  11. Wei-Liang Zhu, Chum Mok Puah, Kok Chin Ng, Hua-Liang Jiang, Xiao-Jian Tan, Kai-Xian Chen. Quantum Chemical HF/4-31G Calculations on Buckminsterfullerene Intermediates. J. Chem. Soc, Perkin Trans. 2, 2001, 233-237.
  12. Oded Kleifeld, Philippe, E. Van den Steen, Anatoly Frenkel, Feng Cheng, Hua Liang Jiang, Ghislain Opdenakker and Irit Sagi. Structural Characterization of the Catalytic Active Site in the Latent and Active human Gelatinase B from Neutrophiles. J. Biol. Chem. 2000, 275: 34335-34343.
  13. Wei-Liang Zhu1, Xiao-Jian Tan, Chum Mok Puah, Jian-De Gu, Hua-Liang Jiang, Kai-Xian Chen, Clifford Felder, Israel Silman, Joel L Sussman. How Does Ammonium Interact with Aromatic groups? A Density Functional Theory (DFT/B3LYP) Investigation. J. Phys. Chem. A. 2000, 104: 9573-9580.
  14. Liu Hong, Ji Min, Jiang Hua Liang, Hua Wei Yi, Chen Kai Xian, Ji Ru Yun. Computer-Aided Design, Synthesis and Biological Assay of p-Methylsulfonamido Phenylethyl Amine Analogues. Bioorganic & Medicinal Chemistry Letters. 2000, 10(19): 2153-2157.
  15. Jiande Gu, Kaixian Chen, Hualiang Jiang, Jezzy Leszczynski. The Radical Transformation in Artemisinin: A DFT Study. J. Phys. Chem. A. 1999, 103.
  16. Gu Jian De, Chen Kai Xian, Jiang Hua Liang, Chen Jian Zhong, Zhu Wei Liang, Ji Ru Yun. A Quantum Chemistry Calculation Study of Qinghaosu. J. Struct. Chem (THEOCHEM). 1999, 459: 103-111.
  17. Jiande Gu, Kaixian Chen, Hualiang Jiang, Jezzy Leszczynski. A molecular Study of O-centered and the C-centered free radical intermolediates of arteminin. J. Mol. Struct. (THEOCHEM). 1999, 491(1-3): 57-66.
  18. Wang Qin Mi, Jiang Hau Liang, Chen Kai Xian, Ji Ru Yun, Ye Yuan Jie. Theoretical studies on the possible reaction pathway for the deacylation of AChE-catalyzed reaction. Int. J. Quantum Chem., 1999, 74: 315-325.
  19. Tan Xiao Jian , Jiang Hua Liang , Zhu Wei Liang , Chen Kai Xian , Ji Ru Yun. The Possible Interaction Mechanism for QA Ions Binding to the Potassium Channels: Density Functional Theory and MP2 Studies on the Interaction between Phenol and Ammonium Cation . J. Chem. Soc., Perkin Trans II 1999, 107-112.
  20. Wei-Liang Zhu, Hua-Liang Jiang, Chum Mok Puah, Xiao-Jian Tan, Kai-Xian Chen, Yang Cao, Ru-Yuan Ji. Density functional theory(DFT) study on the interaction of ammonium(NH4+) and aromatic nitrogen heterocyclics. J. Chem Soc. Perkin Transactions 2 1999, (11): 2615-2622.
  21. Chen Jian Zhong, Hu Li Hong, Jiang Hua Liang , Gu Jian De , Zhu Wei Liang, Chen Zhong Liang , Chen Kai Xian , Ji Ru Yun . A 3D-QSAR Study on ginkgolides and their analogues with comparative molecular field analysis. Bioorganic & Medicinal Chemistry Letters 1998; 8: 1291-1296.
  22. Liu Dong Xiang, Jiang Hua Liang, Chen Kai Xian , Ji Ru Yun . A New Approach to Design Virtual Combinatorial Library with Genetic Algorithm Based on 3D Grid Property. J.Chem. Inf. Comput. Sci. 1998; 38: 233-242.
  23. Zeng Fan Xing, Jiang Hua Liang, Tang Xi Can, Chen Kai Xian, Ji Ru Yun. Synthsis and acetylcholinesterase inhibitory activity of ()-14-Fluohuperzine A. Bioorganic & Medicinal Chemistry Letters 1998; 8: 1661-1664.
  24. Wang Qin Mi, Jiang Hua Liang, Chen Jian Zhong, Chen Kai Xian, Ji Ru Yun. On the Possible Reaction Pathway for the Acylation of AChE-Catalyzed Hydrolysis of ACh: A Semiempirical Quantum Chemical Study. Int. J. Quantum Chem. 1998, 70: 515-525.
  25. Hualiang Jiang, Kaixian Chen, Yun Tang, Jianzhong Chen, Quan Li, Qinmi Wang, Ruyun Ji. Molecular Modeling and 3D-QSAR Studies on The Interaction Mechanism of Tripeptidyl Thrombin Inhibitors with Human -Thrombin. J. Med. Chem. 1998, 40(19): 3085-3090.
 
 



药物发现与设计中心(DDDC),
上海药物研究所(SIMM), 中国科学院(CAS)