Comparative molecular field analysis of pyrrolidine inhibitors for human cytosolic phospholipase A2

doi:10.3866/PKU.WHXB20030118

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	Comparative molecular field analysis of pyrrolidine inhibitors for human cytosolic phospholipase A2
	Huang, CK; Gao, Y; Liu, ZM; Liu, Y; Lai, LH
刊名	ACTA PHYSICO-CHIMICA SINICA
	2003
卷号	19 期号:1 页码:79-81
关键词	Comparative Molecular Field Analysis (Comfa) Cytosolic Phospholipasea2(Cpla2) Pyrrolidine Inhibitor
ISSN号	1000-6818
DOI	10.3866/PKU.WHXB20030118
英文摘要	Cytosolic phospholipase A2 is consided as an important fact that will induce arthritis. We have studied the three-dimensional quantitative structure activity relationship for a series of reported pyrrolidine based inhibitors by the comparative molecular field analysis. One representative compound of the series la was docked onto cPLA2 (PDBcode: 1CJY) by using Dock and Autodock program to determine the most likely binding conformation to cPLA2. The strategy of all-placement search was used in the CoMFA study to give a final model with the cross-validation q(2) of 0.701 and the total analysis of the, CoMFA coefficients map gives insights to the design of better cPLA2 inhibitors.
语种	英语
出版者	PEKING UNIV PRESS
WOS记录号	WOS:000180539200018
内容类型	期刊论文
源URL	[http://ir.iccas.ac.cn/handle/121111/79753]
专题	中国科学院化学研究所
通讯作者	Lai, LH
作者单位	Peking Univ, Coll Chem & Mol Engn, State Key Lab Struct Chem Unstable & Stable Speci, Beijing 100871, Peoples R China
推荐引用方式 GB/T 7714	Huang, CK,Gao, Y,Liu, ZM,et al. Comparative molecular field analysis of pyrrolidine inhibitors for human cytosolic phospholipase A2[J]. ACTA PHYSICO-CHIMICA SINICA,2003,19(1):79-81.
APA	Huang, CK,Gao, Y,Liu, ZM,Liu, Y,&Lai, LH.(2003).Comparative molecular field analysis of pyrrolidine inhibitors for human cytosolic phospholipase A2.ACTA PHYSICO-CHIMICA SINICA,19(1),79-81.
MLA	Huang, CK,et al."Comparative molecular field analysis of pyrrolidine inhibitors for human cytosolic phospholipase A2".ACTA PHYSICO-CHIMICA SINICA 19.1(2003):79-81.