ICCAS OpenIR
Comparative molecular field analysis of pyrrolidine inhibitors for human cytosolic phospholipase A2
Huang, CK; Gao, Y; Liu, ZM; Liu, Y; Lai, LH
2003
Source PublicationACTA PHYSICO-CHIMICA SINICA
ISSN1000-6818
Volume19Issue:1Pages:79-81
AbstractCytosolic 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.
KeywordComparative Molecular Field Analysis (Comfa) Cytosolic Phospholipasea2(Cpla2) Pyrrolidine Inhibitor
DOI10.3866/PKU.WHXB20030118
Indexed BySCI
Language英语
WOS IDWOS:000180539200018
PublisherPEKING UNIV PRESS
Citation statistics
Cited Times:1[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/79754
Collection中国科学院化学研究所
Corresponding AuthorLai, LH
AffiliationPeking Univ, Coll Chem & Mol Engn, State Key Lab Struct Chem Unstable & Stable Speci, Beijing 100871, Peoples R China
Recommended Citation
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.
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