采用Hansch-Fujita的定量构效关系方法,以电性参数(Hammettσ)、疏水性参数(clogP)、立体效应参数(MR)、氢键受体和供体等物理化学参数作为变量,对苯甲醛衍生物、苯甲酸衍生物和苯甲醛缩氨基硫脲衍生物进行了构效关系研究。结果表明,苯甲酸衍生物和苯甲醛缩氨基硫脲衍生物的结构与活性的关系非常相似。在此三类化合物中,氢键受体、立体效应(MR)参数和疏水效应(clogP)参数是影响化合物抑制活性的最主要因子。 Using the quantitative structure-activity relationship method of Hansch-Fujita, the physicochemical parameters such as Hammettσ, hydrophobicity parameters (clogP), stereoscopic effect parameters (MR), hydrogen bond acceptors and donors were used as variables. Derivatives, benzoic acid derivatives and benzaldehyde thiosemicarbazone derivative structure-activity relationship study. The results show that the structure and activity of benzoic acid derivatives and benzaldehyde thiosemicarbazone derivatives are very similar. Among the three compounds, hydrogen bond acceptor, stereoscopic (MR) and hydrophobic (clogP) parameters are the most important factors affecting the inhibitory activity of the compounds.