Relationship between the lipophilicity and antifungal activity of some benzimidazole derivatives

Abstract

In the present paper, the antifungal activity of some 1-benzylbenzimidazole derivatives were evaluated against yeast Saccharomyces cerevisiae. The tested compounds displayed in vitro antifungal activity and minimum inhibitory concentration (MIC) was determined for all the compounds. Quantitative structure-activity relationship (QSAR) has been used to study the relationships between inhibitory activity and lipophilicity parameters (log P). A variety of lipophilicity parameters (logPHyper, CS log P, mi log P, A log P, IA log P, Clog P, log PKow, and X log P) were calculated using different software products, and experimentally determined ("shake-flask" method). On the basis of correlations, the nonlinear structure-activity models were derived between the log1/cMIC and two different lipophilicity parameters. Four high-quality QSAR, models were found to have a good predictive ability and a close agreement between the experimental and predicted values was obtained. © World Scientific Publishing Company.