目的研究 3 哌啶甲酸和四氢烟酸的 4 ,4 二芳基 3 丁烯衍生物结构和对γ 氨基丁酸摄取抑制活性之间的关系。方法使用三维定量构效关系 (3D QSAR)———比较分子场分析 (CoMFA)方法进行构效关系研究。结果交叉验证系数q2和非交叉验证系数r2 分别为 0 72 6和 0 986 ,方差比F为 117 5 6 2 ,标准估计误差 (SEE)为 0 0 6 2。结论这些数值表明所得的CoMFA模型有实际意义 ,并且对 3 哌啶甲酸和四氢烟酸的 4 ,4 二芳基 3 丁烯衍生物抑制活性具有较好的预测能力。 OBJECTIVE To study the relationship between the structure of 4, 4 diaryl-3-butene derivatives of 3-piperidinecarboxylic acid and tetrahydronicotinic acid and their inhibitory activities on the uptake of γ-aminobutyric acid. Methods 3D QSAR - CoMFA method was used to study the structure-activity relationship. Results The cross-validation coefficient q2 and non-cross-validation coefficient r2 were 0 726 and 0 986 respectively, the variance ratio F was 117 5 6 2, and the standard estimated error (SEE) was 0 0 6 2. Conclusions These values ​​indicate that the resulting CoMFA model is of practical interest and has better predictive power for the inhibitory activity of the 3, 4 diaryl-3-butene derivatives of 3-piperidinecarboxylic acid and tetrahydronickleine.