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研究了38个杜皮酰胺类化合物的抗惊作用(MES)的定量构效关系。相关分析结果表明这类化合物的抗惊活性与脂水分配系数(logP正辛醇/水)呈抛物线的关系。苯环上取代基的Hammett σ常数和立体参数(MR)可以明显改进相关关系。说明吸电子同时体积小的取代基可以提高这类化合物的抗惊活性。使用上系列化合物中20个桂皮酰哌啶化合物研究定量构效关系,得到相似的结果。
The quantitative structure-activity relationship of antidepressant (MES) activity of 38 deduxamide compounds was studied. The results of correlation analysis showed that the antitumor activity of these compounds was parabolically related to the lipid-water partition coefficient (logP n-octanol / water). The Hammett’s σ constant and the stereo parameter (MR) of substituents on the benzene ring can significantly improve the correlation. This shows that the small electron-withdrawing substituents can enhance the anti-shock activity of these compounds. Quantitative structure-activity relationships were investigated using 20 cinnamoyl piperidine compounds in the top series of compounds, with similar results.