Towards structure-based protein drug design

doi:10.1042/BST0391382

CORC > 化学研究所 > 中国科学院化学研究所

	Towards structure-based protein drug design
	Zhang, Changsheng 1; Lai, Luhua 1,2
刊名	BIOCHEMICAL SOCIETY TRANSACTIONS
	2011-10-01
卷号	39 页码:1382-1386
关键词	Computational Design De Nova Design Grafting Protein Drug Protein-protein Docking Protein Therapeutic
ISSN号	0300-5127
DOI	10.1042/BST0391382
英文摘要	Structure-based drug design for chemical molecules has been widely used in drug discovery in the last 30 years. Many successful applications have been reported, especially in the field of virtual screening based on molecular docking. Recently, there has been much progress in fragment-based as well as de novo drug discovery. As many protein-protein interactions can be used as key targets for drug design, one of the solutions is to design protein drugs based directly on the protein complexes or the target structure. Compared with protein-ligand interactions, protein-protein interactions are more complicated and present more challenges for design. Over the last decade, both sampling efficiency and scoring accuracy of protein-protein docking have increased significantly. We have developed several strategies for structure-based protein drug design. A grafting strategy for key interaction residues has been developed and successfully applied in designing erythropoietin receptor-binding proteins. Similarly to small-molecule design, we also tested de novo protein-binder design and a virtual screen of protein binders using protein-protein docking calculations. In comparison with the development of structure-based small-molecule drug design, we believe that structure-based protein drug design has come of age.
语种	英语
出版者	PORTLAND PRESS LTD
WOS记录号	WOS:000295745200046
内容类型	期刊论文
源URL	[http://ir.iccas.ac.cn/handle/121111/72087]
专题	中国科学院化学研究所
通讯作者	Lai, Luhua
作者单位	1.Peking Univ, Beijing Natl Lab Mol Sci, State Key Lab Struct Chem Unstable & Stable Speci, Coll Chem & Mol Engn, Beijing 100871, Peoples R China 2.Peking Univ, Ctr Theoret Biol, Beijing 100871, Peoples R China
推荐引用方式 GB/T 7714	Zhang, Changsheng,Lai, Luhua. Towards structure-based protein drug design[J]. BIOCHEMICAL SOCIETY TRANSACTIONS,2011,39:1382-1386.
APA	Zhang, Changsheng,&Lai, Luhua.(2011).Towards structure-based protein drug design.BIOCHEMICAL SOCIETY TRANSACTIONS,39,1382-1386.
MLA	Zhang, Changsheng,et al."Towards structure-based protein drug design".BIOCHEMICAL SOCIETY TRANSACTIONS 39(2011):1382-1386.