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 ( log PHyper, CS log P, mi log P, A log P, IA log P, C log 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 log 1/cMICand 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.