2D QSAR Studies on a Series of Benzimidazole Type of Fluconazole Analogues as Antimicrobial Agents

Abstract

Antimicrobial activity of benzimidazole type of Fluconazole analogues series were subjected to Quantitative Structure Activity Relationship (QSAR) studies with an effort to derive and understand a correlation between the biological activity as response variable and different molecular descriptors as independent variables. The QSAR results revealed that the presence of methoxy, hydroxy, chloro or fluoro substituents would increase the antimicrobial activity and presence of electron withdrawing groups at R1, R2, R3 and R4 position of benzimidazole ring would increase the activity. Such a theoretical study can help in designing more active molecules than the current ones.