In recent years regulation of the enzymatic activity of human aldose reductase (HAR) has been the main focus of investigation, due to its potential therapeutic application in Diabetes mellitus (DM). In the present study, the docking behaviour of human aldose reductase (HAR) with seven different ligands namely embelin, copper-embelin complex, zinc-embelin complex, vilangin and quercetin were evaluated along with their putative binding sites using Discovery Studio Version 3.1. Docking studies and binding free energy calculations revealed that vilangin has maximum interaction energy (-48.94 kcal/mol) and metformin with the least interaction energy (-19.52 kcal/mol) as compared to the other investigated ligands. Interestingly, copper-embelin complex fails to dock; this might be due poor protein-ligand interaction. Embelin, vilangin and quercetin showed interaction with Ser 2 amino acid residue respectively. Therefore, it is strongly suggested that the present study outcomes might provide new insight in understanding these seven ligands, as potential candidates for human aldose reductase (HAR) inhibitory activity & for the prevention of Diabetes mellitus (DM) associate disorders.
