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新型“软”双季铵盐的结构与抗菌活性之间的定量关系

Quantitative relationships between structure and antimicrobial activity of new "soft" bisquaternary ammonium salts.

作者信息

Pavlíková-Morická M, Lacko I, Devínsky F, Masárová L, Milynarcík D

机构信息

Department of Chemical Theory of Drugs, Faculty of Pharmacy, Comenius University, Bratislava, Slovak Republic.

出版信息

Folia Microbiol (Praha). 1994;39(3):176-80. doi: 10.1007/BF02814644.

Abstract

New surface-active bisquaternary ammonium salts derived from bis-(2-dimethylaminoethyl) ester of glutaric acid are highly effective against representatives of Gram-positive, Gram-negative bacteria and yeasts. Relationships between structure, lipophilicity and antimicrobial effectiveness were demonstrated by quantitative structure-activity methodology. The non-linear dependence of biological activity on the structure as well as lipophilicity (expressed as critical micelle concentration-CMC) was shown using Kubinyi's bilinear model. The most effective compounds were those with the alkyl chain of 11-12 carbon atoms and with the CMC values around 0.7-1.0 mmol/L. These derivatives possessed higher antimicrobial activity particularly to Gram-negative bacteria.

摘要

由戊二酸双(2-二甲基氨基乙基)酯衍生的新型表面活性双季铵盐对革兰氏阳性菌、革兰氏阴性菌及酵母具有高效杀灭作用。通过定量构效关系方法揭示了结构、亲脂性与抗菌效果之间的关系。利用库宾伊双线性模型展示了生物活性与结构以及亲脂性(以临界胶束浓度-CMC表示)之间的非线性依赖关系。最有效的化合物是那些具有11-12个碳原子烷基链且CMC值在0.7-1.0 mmol/L左右的化合物。这些衍生物尤其对革兰氏阴性菌具有更高的抗菌活性。

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