Chen J Z, Hu L H, Jiang H L, Gu J D, Zhu W L, Chen Z L, Chen K X, Ji R Y
Shanghai Institute of Material Medica, Chinese Academy of Sciences, P.R. China.
Bioorg Med Chem Lett. 1998 Jun 2;8(11):1291-6. doi: 10.1016/s0960-894x(98)00205-4.
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.
比较分子场分析（CoMFA）是一种三维定量构效关系（3D-QSAR）模式，用于研究银杏内酯类似物的物理化学性质与体外生物活性之间的相关性。CoMFA分析得出的相关性具有良好的预测能力。基于CoMFA分析结果，我们设计了一些化合物。药理试验表明，这些新设计的化合物中有三种的活性比银杏内酯强2至4倍。
