Molecular docking analysis of imidazole derivatives and polybenzimidazole analogs as inhibitors of superoxide dismutase (SOD) and xanthine oxidase (XO)

The present study describes, molecular docking analysis of Imidazole derivatives and Polybenzimidazole (PBI) analogs as inhibitors of Superoxide dismutase (SOD) and Xanthine oxidase (XO). Twelve imidazole derivatives and twelve PBI analogs were evaluated on the docking behaviour of SOD and XO using PatchDock. Docking studies revealed that 1-Ethylimidazole and pyridine-PBI (1 Unit) showed the least atomic contact energy (−15.60 & −200.60 kcal/mol) with that of SOD. Similarly 1-Imidazole and pyridine-PBI (1 Unit) showed the least atomic contact energy (−68.01 & −80.88 kcal/mol) with that of XO. Hence, the results of this present study exhibited the potential of these Imidazole derivatives and Polybenzimidazole (PBI) analogs as SOD and XO inhibitory agents.