Xu Yechun

ycxu@mail.shcnc.ac.cn

ycxu@simm.ac.cn

Bachelor, 1995-1999, East China Normal University, China

Master, 1999-2001, East China Normal University, China

PhD, 2001-2004, Shanghai Institute of Materia Medica, China

Post-doc, 2005-2009, Weizmann Institute of Science, Israel

PI, 2009-, Shanghai Institute of Materia Medica, China

 

Selected publications

1.      Xudong Gong, Guan Wang, Jing Ren, Zheng Liu, Zhen Wang, Tiantian Chen, Xiaojun Yang, Xiangrui Jiang, Jingshan Shen, Hualiang Jiang, Haji Akber Aisa,* Yechun Xu,* Jianfeng Li.* Exploration of the 5-Bromopyrimidin-4(3H)-ones as potent inhibitors of PDE5. Bioorg. Med. Chem. Lett. 2013, 23, 4944-4947.

2.      Yiquan Zou, Lei Xu, Wuyan Chen, Yiping Zhu, Tiantian Chen, Yan Fu, Li Li, Lanping Ma, Bing Xiong, Xin Wang, Jian Li, Jianhua He, Haiyan Zhang,* Yechun Xu*, Jia Li,* Jingkang Shen.* Discovery of Pyrazole as C-terminus of Selective BACE1 Inhibitors. Eur. J. Med. Chem. 2013, 68, 270-283.

3.      Yiquan Zou, Li Li, Wuyan Chen, Tiantian Chen, Lanping Ma, Xin Wang, Bing Xiong*, Yechun Xu*, Jingkang Shen*. Virtual Screening and Structure-based discovery Indole Acylguanidines as Potent β-secretase (BACE1) Inhibitors. Molecules 2013, 18(5), 5706-5722.

4.      Yuanyuan Wang, Li Li, Tiantian Chen, Wuyan Chen, Yechun Xu*. Microsecond molecular dynamics simulation of Aβ42 and identification of a novel dual inhibitor of Aβ42 aggregation and BACE1 activity. Acta Pharmacol. Sin. 2013, 34(9), 1243-1250.

5.      Lele Zhao, Danyan Cao, Tiantian Chen, Yingqing Wang, Zehong Miao, Yechun Xu, Wuyan Chen, Xin Wang, Yanlian Li, Zhiyan Du, Bing Xiong,  Jian Li, Chunyan Xu, Jianhua He, Naixia Zhang, Jingkang Shen. Fragment-based Drug Discovery of 2-thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain. J. Med. Chem. 2013, 56(10), 3833-3851.

6.      Na Ye, Chuan-Huizi Chen, Tiantian Chen, Zilan Song, Jin-Xue He, Xia-Juan Huan, Shanshan Song, Qiufeng Liu, Yi Chen, Jian Ding, Yechun Xu,* Ze-Hong Miao,* Ao Zhang.* Design, Synthesis and Biological Evaluation of a Series of Benzo[de][1,7]naphthyridin-7(8H)-ones Bearing a Functionalized Longer Chain Appendage as Novel PARP1 Inhibitors. J. Med. Chem. 2013, 56(7), 2885-2903.

7.      Yanxia Liu, Wei Zhang, Li Li, Lilibeth A. Salvador, Tiantian Chen, Wuyan Chen, Kevin M. Felsenstein, Thomas B. Ladd, Ashleigh R. Price, Todd E. Golde, Jianhua He, Yechun Xu,* Yingxia Li,* Hendrik Luesch.* Cyanobacterial Peptides as a Prototype for the Design of Potent β-Secretase Inhibitors and the Development of Selective Chemical Probes for Other Aspartic Proteases. J. Med. Chem. 2012, 55, 10749-10765.

8.      Guan Wang, Zheng Liu, Tiantian Chen, Zhen Wang, Huaiyu Yang, Mingyue Zheng, Jing Ren, Guanghui Tian, Xiaojun Yang, Li Li, Jianfeng Li, Jin Suo, Rongxia Zhang, Xiangrui Jiang, Nicholas Kenneth Terrett, Jingshan Shen,* Yechun Xu,* Hualiang Jiang.* Design, Synthesis, and Pharmacological Evaluation of Monocyclic Pyrimidinones as Novel Inhibitors of PDE5. J. Med. Chem. 2012, 55, 10540-10550.

9.      Kui Wu, Jing Ai, Qiufeng Liu, TianTian Chen, Ailing Zhao,  Xia Peng, Yuanxiang Wang, Xin Gao, Ying Wang, Yi Chen, Qizheng Yao, Yechun Xu*, Meiyu Geng*, Ao Zhang*. Multisubstituted Quinoxalines and Pyrido[2,3-d]pyrimidines: Synthesis and SAR Study as Tyrosine Kinase c-Met Inhibitors. Bioorg. Med. Chem. Lett. 2012, 22, 6368-6372.

10.  Yechun Xu*, Minjun Li, Harry Greenblatt, Wuyan Chen, Aviv Paz, Orly Dym, Yoav Peleg, Tiantian Chen,  Xu Shen, Jianhua He, Hualiang Jiang, Israel Silman and Joel Sussman*. Flexibility of the Flap in the Active Site of BACE1 as Revealed by Crystal Structures and MD Simulations. Acta Crystallogr. D (Biol. Crystallogr.) 2012, D68, 13-25.

11.  Zhijian Xu, Zheng Liu, Tong Chen, TianTian Chen, Zhen Wang, Guanghui Tian, Jing Shi, Xuelan Wang, Yunxiang Lu, Xiuhua Yan, Guan Wang, Hualiang Jiang, Kaixian Chen, Shudong Wang, Yechun Xu*, Jingshan Shen*, Weiliang Zhu*. Utilization of Halogen Bond in Lead Optimization: a Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors. J. Med. Chem. 2011, 54, 5607-5611.

12.  Yechun Xu*, Jacques Ph. Colletier, Martin Weik, Guangrong Qin, Hualiang Jiang, Israel Silman, Joel L. Sussman*. Long route or shortcut? A molecular dynamics study of traffic of thiocholine within the active-site gorge of acetylcholinesterase. Biophys. J. 2010, 99, 4003-4011.

13.  Yechun Xu, Jacques Ph. Colletier, Martin Weik, Hualiang Jiang, John Moult, Israel Silman, Joel L. Sussman. Flexibility of aromatic residues in the active-site gorge of acetylcholinesterase: X-ray vs MD. Biophys. J. 2008, 95, 2500-2511.

14.  Yechun Xu, Jacques Ph. Colletier, Hualiang Jiang, Israel Silman, Joel L. Sussman, Martin Weik. Induced-fit of preexisting equilibrium dynamics? Lessons from protein crystallography and MD simulations on acetylcholinesterase and implications for structure-based drug design. Prot. Sci. 2008, 17, 601-605.

15.  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 2006, 110, 20640-20648.

16.  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 Science 2006, 7, 195-200 (review).

17.  Yechun Xu, Jianhua Shen, Xiaomin Luo, Weiliang Zhu, Kaixian Chen, Jianpeng Ma, Hualiang Jiang. Conformational transition of amyloid b-peptide. PNAS 2005, 102, 5403-5407.

18.  Yechun Xu, Francisco J. Barrantes, Xiaomin Luo, Kaixian Chen, Jianhua Shen, Hualiang Jiang. Conformational dynamics of the nicotinic acetylcholine receptor channel: a 35-ns molecular dynamics simulation study. J. Am. Chem. Soc. 2005, 127, 1291-1299.

19.  Yechun Xu, Jianhua Shen, Weiliang Zhu, Xiaomin Luo, Kaixian Chen, Hualiang Jiang. Influence of water molecule on cation-p interaction: ab initio second order Møller-Plesset perturbation theory (MP2) calculations. J. Phys. Chem. B. 2005, 109, 5945-5949.

20.  Yechun Xu, Jianhua Shen, Xiaomin Luo, Xu Shen, Kaixian Chen, Hualiang Jiang. Steered molecular dynamics simulations of protein-ligand interactions. Science in China Ser. B Chemistry, 2004, 47:355-366 (review).

21.  Yechun Xu, Jianhua Shen, Xiaomin Luo, Israel Silman, Joel L. Sussman, Kaixian Chen, Hualiang Jiang. How does huperzine A enter and leave the binding gorge of acetylcholinesterase? steered molecular dynamics simulation. J. Am. Chem. Soc. 2003, 125, 11340-11349.

 

AWARDS

-          CAS-Novo Nordisk Great Wall Professorship (2009)

-          Dean of Faculty’s Fellowship, Weizmann Institute of Science (2005-2008)

-          Awards for the national top-100 excellent doctoral dissertations (2006)

-          SERVIER young investigator awards prize in medicinal chemistry (2005)

-          Third prize of the sixth national session “Tiao Zhan Bei”(1999)