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本实验采用“活性类似物法”确定了烯丙胺类抗真菌化合物的药效构象，采用比较分子力场分析法（ＣｏＭＦＡ）拟合了４８个烯丙胺类抗真菌化合物对６种常见致病真菌的３ＤＱＳＡＲ方程，并比较了２种不同叠合规则对模型的影响，最后，用５个新合成化合物对所拟合的抗石膏样毛癣菌、抗烟曲霉菌的ＣｏＭＦＡ模型的预测能力进行了检验，得到比较满意的结果
In this experiment, the active conformation method was used to determine the pharmacodynamic conformation of allylamine antifungal compounds. Forty-eight allylamine antifungal compounds were tested against six common pathogenic fungi by using comparative molecular force field analysis (CoMFA) 3D-QSAR equation. The effects of two different stacking rules on the model were compared. Finally, the predictive ability of the new synthetic compounds to CoMFA model against Trichophyton mentagrophytes and Aspergillus fumigatus The test was carried out to get more satisfactory results