Current Strategies and Applications for Precision Drug Design

doi:10.3389/fphar.2018.00787

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

	Current Strategies and Applications for Precision Drug Design
	Wang, Chen 1,3,4; Xu, Pan 1,3; Zhang, Luyu 2; Huang, Jing 1,3; Zhu, Kongkai 4; Luo, Cheng1,3
刊名	FRONTIERS IN PHARMACOLOGY
	2018-07-18
卷号	9
关键词	precision medicine precision drug design computational modeling deep learning antibody-drug conjugates ligand-targeted conjugates
ISSN号	1663-9812
DOI	10.3389/fphar.2018.00787
文献子类	Review
英文摘要	Since Human Genome Project (HGP) revealed the heterogeneity of individuals, precision medicine that proposes the customized healthcare has become an intractable and hot research. Meanwhile, as the Precision Medicine Initiative launched, precision drug design which aims at maximizing therapeutic effects while minimizing undesired side effects for an individual patient has entered a new stage. One of the key strategies of precision drug design is target based drug design. Once a key pathogenic target is identified, rational drug design which constitutes the major part of precision drug design can be performed. Examples of rational drug design on novel druggable targets and protein-protein interaction surfaces are summarized in this review. Besides, various kinds of computational modeling and simulation approaches increasingly benefit for the drug discovery progress. Molecular dynamic simulation, drug target prediction and in silico clinical trials are discussed. Moreover, due to the powerful ability in handling high-dimensional data and complex system, deep learning has efficiently promoted the applications of artificial intelligence in drug discovery and design. In this review, deep learning methods that tailor to precision drug design are carefully discussed. When a drug molecule is discovered, the development of specific targeted drug delivery system becomes another key aspect of precision drug design. Therefore, state-of-theart techniques of drug delivery system including antibody-drug conjugates (ADCs), and ligand-targeted conjugates are also included in this review.
资助项目	National Natural Science Foundation of China[81625022] ; National Natural Science Foundation of China[21472208] ; National Natural Science Foundation of China[81430084] ; Shandong Provincial Natural Science Foundation[ZR2017BH038] ; China Postdoctoral Science Foundation[2018T110417]
WOS关键词	ACUTE MYELOID-LEUKEMIA ; GROWTH-FACTOR RECEPTOR ; GENERATION SEQUENCING TECHNOLOGIES ; BISUBSTRATE-BASED INHIBITORS ; PROTEIN-COUPLED RECEPTORS ; TYROSINE KINASE INHIBITOR ; ADO-TRASTUZUMAB EMTANSINE ; METASTATIC BREAST-CANCER ; FOLATE-RECEPTOR ; OVARIAN-CANCER
WOS研究方向	Pharmacology & Pharmacy
语种	英语
出版者	FRONTIERS MEDIA SA
WOS记录号	WOS:000439088500001
内容类型	期刊论文
源URL	[http://119.78.100.183/handle/2S10ELR8/279657]
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	Zhu, Kongkai; Luo, Cheng
作者单位	1.Univ Chinese Acad Sci, Sch Pharm, Beijing, Peoples R China; 2.Fudan Univ, Sch Pharm, Shanghai, Peoples R China 3.Chinese Acad Sci, Drug Discovery & Design Ctr, Shanghai Inst Mat Med, State Key Lab Drug Res, Shanghai, Peoples R China; 4.Univ Jinan, Sch Biol Sci & Technol, Jinan, Shandong, Peoples R China;
推荐引用方式 GB/T 7714	Wang, Chen,Xu, Pan,Zhang, Luyu,et al. Current Strategies and Applications for Precision Drug Design[J]. FRONTIERS IN PHARMACOLOGY,2018,9.
APA	Wang, Chen,Xu, Pan,Zhang, Luyu,Huang, Jing,Zhu, Kongkai,&Luo, Cheng.(2018).Current Strategies and Applications for Precision Drug Design.FRONTIERS IN PHARMACOLOGY,9.
MLA	Wang, Chen,et al."Current Strategies and Applications for Precision Drug Design".FRONTIERS IN PHARMACOLOGY 9(2018).