Prediction of the inhibitory activity of benzimidazole derivatives against Bacillus spp.

Abstract

In the present paper, the antibacterial activity of some 1-benzylbenzimidazole derivatives was evaluated against Gram-positive bacteria Bacillus spp. by using QSAR (quantitative structure-activity relationship). The tested compounds displayed in vitro antibacterial activity and minimum inhibitory concentration (MIC) was determined for all compounds. The lipophilicity descriptors of the studied compounds were measured by theoretical calculation (ClogP). The correlation between the MIC (log1/cMIC) and lipophilicity descriptors was investigated, and a mathematical model has been developed as a calibration model for predicting the antibacterial activity of this class of compounds. The quality of the model was validated by leave one out (LOO) technique as well as by the calculation of statistical parameters for the established model. The results of the present study may be useful for the designing of new benzimidazole derivatives that would be more potent against Bacillus spp.

Keywords

• quantitative structure-activity relationship
• benzimidazole derivatives
• Bacillus spp.
• lipophilicity