In silico Molecular Docking Studies of Some Phytochemicals against Dipeptidyl peptidase 4

Background of study: Dipeptidyl peptidase-4 (DPP-4) is an enzyme involved in degradation of both Gastric inhibitory polypeptide (GLP-1) and Glucagon-like peptide (GIP). The inhibition of this enzyme DPP-4 increases the level of insulin released and thereby decreases the blood glucose level by insulin mediated cell glucose transport mechanism. Therefore, it is a potential target for development of novel drug for treatment of type 2 diabetes.

Objective: To determine the potential of some phytochemicals to inhibit DPP4 enzyme

Method: Phytochemicals namely plumbagin, Quercetin, Isovitexin, mangiferin, Syringin, Lupe-20-ene-3-one, 7-(2-hydroxyethyl)-3-methyl-8-(1-phenylethylideneaminoamino) purine 2, 6-dione, Diosmetin and β sitosterol and sitagliptin a standard drug were docked against DPP4 using AutoDock vina, results were analyzed using binding energy.

Results: Among the phytochemicals (ligands) docked in this study, 5 namely; Tiliroside, Diosmetin, Purine-2, 6-dione, isovitexin, and mangiferin showed lower binding energy than the standard dipeptidyl peptidase-4 (DPP-4) inhibitor sitagliptin

Conclusion: According to the findings of this study, Tiliroside, Diosmetin, Purine2, 6-dione, isovitexin, and mangiferin can serve as potential source of future antidiabetic drugs.