文献类型：期刊文献

英文题名：Computational methods for drug design and discovery: focus on China

作者：Zheng, Mingyue[1];Liu, Xian[1];Xu, Yuan[1];Li, Honglin[2,3];Luo, Cheng[1];Jiang, Hualiang[1,2,3]

机构：[1]Chinese Acad Sci, Shanghai Inst Mat Med, State Key Lab Drug Res, Drug Discovery & Design Ctr, Shanghai 201203, Peoples R China;[2]E China Univ Sci & Technol, Sch Pharm, State Key Lab Bioreactor Engn, Shanghai 200237, Peoples R China;[3]E China Univ Sci & Technol, Sch Pharm, Shanghai Key Lab Chem Biol, Shanghai 200237, Peoples R China

年份：2013

卷号：34

期号：10

起止页码：549

外文期刊名：TRENDS IN PHARMACOLOGICAL SCIENCES

收录：;WOS:【SCI-EXPANDED(收录号:WOS:000326316800004)】；

基金：The authors gratefully acknowledge financial support from the National High Technology Research and Development Program of China (2012AA020302), the State Key Program of Basic Research of China grant (2009CB918502), the National Natural Science Foundation of China grants (21021063, 81230076, 81001399, and 21210003), and the National Science and Technology Major Project 'Key New Drug Creation and Manufacturing Program' (2013ZX09507-004).

语种：英文

摘要：In the past decades, China's computational drug design and discovery research has experienced fast development through various novel methodologies. Application of these methods spans a wide range, from drug target identification to hit discovery and lead optimization. In this review, we firstly provide an overview of China's status in this field and briefly analyze the possible reasons for this rapid advancement. The methodology development is then outlined. For each selected method, a short background precedes an assessment of the method with respect to the needs of drug discovery, and, in particular, work from China is highlighted. Furthermore, several successful applications of these methods are illustrated. Finally, we conclude with a discussion of current major challenges and future directions of the field.