PDTD: a web-accessible protein database for drug target identification |
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| Authors: | Zhenting Gao Honglin Li Hailei Zhang Xiaofeng Liu Ling Kang Xiaomin Luo Weiliang Zhu Kaixian Chen Xicheng Wang Hualiang Jiang |
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| Institution: | (1) Drug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai, 201203, China;(2) Department of Engineering Mechanics, State Key Laboratory of Structural Analysis for Industrial Equipment, Dalian University of Technology, Dalian, 116023, China;(3) School of Pharmacy, East China University of Science and Technology, Shanghai, 200237, China |
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| Abstract: | Background Target identification is important for modern drug discovery. With the advances in the development of molecular docking, potential
binding proteins may be discovered by docking a small molecule to a repository of proteins with three-dimensional (3D) structures.
To complete this task, a reverse docking program and a drug target database with 3D structures are necessary. To this end,
we have developed a web server tool, TarFisDock (TargetFishingDocking), which has been used widely by others. Recently, we have constructed a protein target database,PotentialDrugTargetDatabase (PDTD), and have integrated PDTD with TarFisDock. This combination aims to assist target identification and validation. |
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