Computational methods for drug design and discovery: focus on China

doi:10.1016/j.tips.2013.08.004

CORC > 上海药物研究所 > 中国科学院上海药物研究所 > 药物发现与设计中心

	Computational methods for drug design and discovery: focus on China
	Zheng, Mingyue2 ; Liu, Xian 2; Xu, Yuan 2; Li, Honglin 1,3; Luo, Cheng2 ; Jiang, Hualiang1,2,3
刊名	TRENDS IN PHARMACOLOGICAL SCIENCES
	2013-10
卷号	34 期号:10 页码:549-559
ISSN号	0165-6147
DOI	10.1016/j.tips.2013.08.004
文献子类	Review
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.
资助项目	National High Technology Research and Development Program of China[2012AA020302] ; State Key Program of Basic Research of China[2009CB918502] ; National Natural Science Foundation of China[21021063] ; National Natural Science Foundation of China[81230076] ; National Natural Science Foundation of China[81001399] ; National Natural Science Foundation of China[21210003] ; National Science and Technology Major Project 'Key New Drug Creation and Manufacturing Program'[2013ZX09507-004]
WOS关键词	PROTEIN-LIGAND DOCKING ; IN-SILICO ; TARGET IDENTIFICATION ; NETWORK PHARMACOLOGY ; MOLECULAR DOCKING ; REVERSE DOCKING ; SCREENING TOOLS ; HYBRID APPROACH ; LIBRARY DESIGN ; WEB SERVER
WOS研究方向	Pharmacology & Pharmacy
语种	英语
出版者	ELSEVIER SCIENCE LONDON
WOS记录号	WOS:000326316800004
内容类型	期刊论文
源URL	[http://119.78.100.183/handle/2S10ELR8/277436]
专题	药物发现与设计中心中科院受体结构与功能重点实验室新药研究国家重点实验室
通讯作者	Jiang, Hualiang
作者单位	1.E China Univ Sci & Technol, Sch Pharm, State Key Lab Bioreactor Engn, Shanghai 200237, Peoples R China; 2.Chinese Acad Sci, Shanghai Inst Mat Med, State Key Lab Drug Res, Drug Discovery & Design Ctr, Shanghai 201203, Peoples R China; 3.E China Univ Sci & Technol, Sch Pharm, Shanghai Key Lab Chem Biol, Shanghai 200237, Peoples R China
推荐引用方式 GB/T 7714	Zheng, Mingyue,Liu, Xian,Xu, Yuan,et al. Computational methods for drug design and discovery: focus on China[J]. TRENDS IN PHARMACOLOGICAL SCIENCES,2013,34(10):549-559.
APA	Zheng, Mingyue,Liu, Xian,Xu, Yuan,Li, Honglin,Luo, Cheng,&Jiang, Hualiang.(2013).Computational methods for drug design and discovery: focus on China.TRENDS IN PHARMACOLOGICAL SCIENCES,34(10),549-559.
MLA	Zheng, Mingyue,et al."Computational methods for drug design and discovery: focus on China".TRENDS IN PHARMACOLOGICAL SCIENCES 34.10(2013):549-559.