高振霆

Zhenting Gao

Ph.D

Email: zhentg@mail.shcnc.ac.cn

Educational Background

Research Experiences

    During the 4 years at Shanghai Institute of Meteria Medica(abbr. SIMM), I adjusted my research focus from the analytical chemistry to the molecular modeling and drug design.

    In the first year, I determined PPARγ-ligand binding affinity using fluorescent assay with cis-parinaric acid as a probe. For this project, I did some molecular biology experiments to prepare the protein, and to analyze the experiment result I revised the equation to calculate theK_iof ligand binding to protein, and emphasized the superiority of K_i to IC₅₀ in the molecular level bioassay.

    Then I joined the computational group of the Drug Discovery and Design Center at SIMM. I started from chemistry database management, and later began the research of the RelS protein. The main aim of this project is to explore the conformational control of two opposing activity states in the ?bifunctional strigent response factor by MD simulation. Using Gromacs package, I performed the simulation for 10ns. The result of simulation was analyzed in a global-to-local strategy, observations of the global conformational change and the local hydrogen bond were made. The paper is in preparation. Furthermore, virtual screen of the enzymatic site of the RelS protein was performed. In this project, I learnt to combine various molecular modeling knowledge to understand the global conformational change induced by active site ligand binding.
    Finally, I joined the project of TarFisDock web service. First, in collaboration we built the potential drug targets database. A reverse docking program was developed by a group member. Finally I designed the web service of TarFisDock, which involves the combination of HTML/PHP scripting and MySQL database management.

    Having experiences from chemistry, biology and molecular modeling, I realized that I should further my research on molecular modeling and always combine it to real? experiments.

Publications

1. 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 PPARγ. Biochemical Pharmacology (2007)
   Online Article
2. 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. Nucleic Acids Research 34, W219-224 (2006)
   Online Article
3. Zhenting Gao, Haibin Luo, Lili Chen, Jianhua Shen, Kaixian Chen, Hualiang Jiang & Xu Shen. Determining PPARγ-ligand binding affinity using fluores-cent assay with cis-parinaric acid as a probe. Science in China Series B-Chemistry 48, 122-131 (2005)
   Online Article
4. 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, 441-448 (2004)
   Online Article

My Documents

1. 如何获得与Specs ID对应的结构
2. 生成PDB文件的链接，批量下载PDB文件