A 3D-QSAR STUDY ON GINKGOLIDES AND THEIR ANALOGS WITH COMPARATIVE MOLECULAR-FIELD ANALYSIS

Authors
CHEN JZ HU LH JIANG HL GU JD ZHU WL CHEN ZL CHEN KX JI RY
Citation
Jz. Chen et al., A 3D-QSAR STUDY ON GINKGOLIDES AND THEIR ANALOGS WITH COMPARATIVE MOLECULAR-FIELD ANALYSIS, Bioorganic & medicinal chemistry letters, 8(11), 1998, pp. 1291-1296
Citations number
4
Categorie Soggetti
Chemistry Inorganic & Nuclear","Chemistry Medicinal
Journal title
Bioorganic & medicinal chemistry letters → ACNP
ISSN journal
0960894X
Volume
8
Issue
11
Year of publication
1998
Pages
1291 - 1296
Database
ISI
SICI code
0960-894X(1998)8:11<1291:A3SOGA>2.0.ZU;2-D
Abstract
Comparative molecular field analysis (CoMFA), a three-dimensional quan titative structure-activity relationship (3D-QSAR) paradigm was used t o study the correlation between the physicochemical properties and the in vitro bioactivities of ginkgolide analogues. The correlation deriv ed from CoMFA analysis has a good predictive capability. Based on the result of CoMFA analysis, we designed some compounds. Pharmacological assay indicated that three of these new designed compounds are 2 and 4 times more potent than thar of ginkgolides. (C) 1998 Elsevier Science Ltd. All rights reserved.