Molecular Docking Analysis of Potential Dipeptidyl peptidase - 4 (DPP-4) Inhibitors from Siddha formulation Pungampoo Chooranam for treating Diabetes mellitus

Diabetes mellitus (DM) is a metabolic disorder characterized by chronic hyperglycemia or increased blood glucose levels with disturbances in carbohydrate, fat and protein metabolism resulting from absolute or relative lack of insulin secretion. The important pathogenic factors responsible for the development of metabolic disorder, insulin resistance, β-cells dysfunction, and finally diabetes are oxidative stress and tissue specific systemic inflammation. It was proven that drug which selectively inhibit the enzyme Dipeptidyl peptidase-4 (DPP-4) benefit the insulin resistance diabetes. As the DPP-4 highly involved in the enzymatic degradation of GLP-1 and GIP required for insulin secretion. Due to increased adverse event caused by conventional anti-diabetic agents researchers are at constant need of exploring alternate therapeutic strategy for clinical management of diabetes mellitus. Siddha system of traditional medicine through its valuable phytocomponents therapy provides highly beneficial effects in treating metabolic disorders such as diabetes since several centuries. The main aim of the resent investigation is to screen the seven bioactive phytocomponents such as Beta Sitosterol, Glabrin, Kanjone, Pongol, Sterolin, Pinnantin, and Quercetin present in the formulation Pungampoo Chooranam (PPC) against target protein Dipeptidyl peptidase-4 with PDB code 2P8S along with the standard sitagliptine using computational docking analysis. The results of the present investigation clearly shows that all the seven compound screened Insilco has tendency to binding with the most significant active site 205 GLU,206 GLU,209 SER,357 PHE,358 ARG,547 TYR, 710 ASN,711VALand 740 HIS present on the target protein DDP-4 which may be responsible for degradation of GLP-1 and GIPand hence from this it was concluded that the bioactive phytocomponents present in the formulation Pungampoo Chooranam (PPC) has significant DDP-4 enzyme inhibition activity and there by promising anti-diabetic activity and may also be effective in clinical management of diabetes mellitus.