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ID: ALA1130997

Journal: Bioorg Med Chem Lett

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

Authors: Chen JZ, Hu LH, Jiang HL, Gu JD, Zhu WL, Chen ZL, Chen KX, Ji RY.

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.

CiteXplore: 9871752

DOI: 10.1016/s0960-894x(98)00205-4