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Bioorg Med Chem Lett. 1998 Jun 2;8(11):1291-6.

A 3D-QSAR study on ginkgolides and their analogues with comparative molecular field analysis.

Author information

1
Shanghai Institute of Material Medica, Chinese Academy of Sciences, P.R. China.

Abstract

Comparative molecular field analysis (CoMFA), a three-dimensional quantitative structure-activity relationship (3D-QSAR) paradigm was used to study the correlation between the physicochemical properties and the in vitro bioactivities of ginkgolide analogues. The correlation derived 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 that of ginkgolides.

PMID:
9871752
DOI:
10.1016/s0960-894x(98)00205-4
[Indexed for MEDLINE]

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