Application of multiple linear regression analysis to predict antifungal activity of some benzimidazole derivatives using ADME parameters

Abstract

In this study we were investigated the relationship between the antifungal activity of some benzimidazole derivatives and some absorption, distribution, metabolism and excretion (ADME) parameters. The antifungal activity of studied compounds against Saccharomyces cerevisiae was expressed as the minimal inhibitory concentration (MIC). A statistically significant quantitative structure-activity relationship (QSAR) model for predicting antifungal activity of the investigated benzimidazole derivatives against Saccharomyces cerevisiae was obtained by multiple linear regression (MLR) using ADME parameters. The quality of the MLR model was validated by the leave-one-out (LOO) technique, as well as by the calculation of the statistical parameters for the developed model, and the results are discussed based on the statistical data.