Application of QSAR models in analysis of antibacterial activity of some benzimidazole derivatives against Sarcina lutea
2013
Podunavac-Kuzmanović, Sanja O. (Faculty of Technology, Novi Sad (Serbia)) | Cvetkovći, Dragoljub D. (Faculty of Technology, Novi Sad (Serbia)) | Jevrić, Lidija R. (Faculty of Technology, Novi Sad (Serbia)) | Uzelac, Nataša U. (Faculty of Technology, Novi Sad (Serbia))
In the present study, a quantitative structure activity relationship (QSAR) has been carried out on a series of 2-methyl and 2-aminobenzimidazole derivatives to identify the lipophi- licity requirements for their inhibitory activity against bacteria Sarcina lutea. The tested compounds displayed in vitro antibacterial activity and minimum inhibitory concentration (MIC) was determined for all compounds. The partition coefficients of the studied com- pounds were measured by the shake flask method (log P) and by theoretical calculation (Clog P). The relationships between lipophilicity descriptors and antibacterial activities were investigated and the mathematical models have been developed as a calibration models for predicting the inhibitory activity of this class of compounds. The models were validated by the leave-one-out (LOO) technique as well as by the calculation of statistical parameters for the established models. Therefore, QSAR analysis reveals that the lipophilicity descrip- tor governs the inhibitory activity of benzimidazoles studied against Sarcina lutea.
显示更多 [+] 显示较少 [-]