Correlations between the lipophilicity and the inhibitory activity of different substituted benzimidazoles

Chemical Industry and Chemical Engineering Quarterly

关键词: benzimidazole;    antibacterial activity;    quantitative structure-activity relationship;    lipophilicity;    in vitro studies;    Bacillus cereus;   

DOI  :  

来源: DOAJ

【 摘 要 】

2-Amino and 2-methylbenzimidazole derivatives were tested in vitro for their inhibitory activity against the bacteria Bacillus cereus. The minimum inhibitory concentration (MIC) was determined for all compounds. The lipophilicity descriptors were calculated by using CS Chem-Office Software, version 7.0. The stepwise regression method was used to derive the most significant model as a calibration model for predicting the antibacterial activity of this class of compounds. A complete regression analysis resorting to linear and quadratic relationships was made. Theoretical models were validated by leaving one out (LOO) technique, as well as by the calculation of statistical parameters for the established models. The best QSAR model for the prediction of an inhibitory activity of the investigated series of benzimidazoles was developed. A high agreement between the experimental and predicted inhibitory values was obtained. The results indicated that the antibacterial activity could be modeled using the lipophilicity descriptor.

【 授权许可】

Unknown