Abstract

IN SILICO STUDY OF BENZIMIDAZOLE DERIVATIVES AS POTENTIAL INHIBITOR OF ACETYL COENZYME CARBOXYLASE

Nisha Devi, Deepika Choudhary and Sukhbir Lal Khokra*

Abstract

A series of total 12hypothetical benzimidazole derivatives, as shown in table 1 were designed having substituted sulphonamide at 2–position of benzimidazole ring. Acetyl coenzyme carboxylase (ACC) is catalyzes the carboxylation of acetyl-CoA to produce malonyl-CoA. To pre asses their potential to be effective against antioxidant activity, these 12 hypothetical butenolide derivatives were analysed by computational analysis, particularly docking studies using programme Molegro Virtual Docker 4.0.2. In this study we considered the hypothetical compounds as ligands and suitable target bio-molecules as receptors. When ligands bind to the receptor, the course of a biochemical process is modified. The protein receptors (PDBs) used in this study PDB ID- 1UOk for antioxidant activity. The target protein receptor was found to be most suitable and actively involved as main trait for role and function of acetyl co-carboxylase. Results of docking studies revealed that almost all docked compounds have good mol dock score and showed strong interactions with the receptor in comparison to the standard drug ascorbic acid.

Keywords: Molegro virtual docker, benzimidazole, biotin, biological function.