Molecular Docking Analysis of Novel Alpha-Glucosidase enzyme Inhibitors from Siddha Formulation Pungampoo Chooranam using Computer aided drug discovery
International Journal of Current Research in Chemistry and Pharmaceutical Sciences
Type II diabetes mellitus (T2DM) is a chronic metabolic disorder in which prevalence has been increasing steadily all over the world. As a result of this trend, it is fast becoming an epidemic in some countries of the world with the number of people affected expected to double in the next decade due to increase in ageing population, thereby adding to the already existing burden for healthcare providers, especially in poorly developed countries. Due to increased adverse event caused by
... al 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. Alpha-glucosidase inhibitors (AGIs) are drugs that inhibit the absorption of carbohydrates from the gut and may be used in the treatment of patients with type II diabetes or impaired glucose tolerance. There are some increasing evidence that AGIs are beneficial to prevent or delay mortality in type II diabetes. The main aim of the resent investigation is to screen the seven bioactive phytocomponents such as Beta Sitosterol, Glabrin, Kanjone, Pongol, Sterolin, Pinnantin, Quercetin, Isolonchocarpin present in the formulation Pungampoo Chooranam (PPC) against target protein Alpha-Glucosidase enzyme with PDB code 4J5Talong with the standard acarbose using computational docking analysis. The results of the present investigation clearly shows that out of eight compounds screened the compound such as Beta sitosterol, Glabrin, Sterolin and Isolonchocarpin has tendency to binding with the most significant active site 428 PHE of the enzyme target responsible for biological activity, when compare to the standard Acarbose with the binding affinity towards 392 ASP, 709 TYR and 771 GLU. Hence from the results of the present investigation it was concluded that the bioactive phytocomponents present in the formulation Pungampoo Chooranam (PPC) has significant Alpha-glucosidase inhibition activity and there by promising anti-diabetic activity and may also be effective in clinical management of type II diabetes mellitus.