IN-SILICO DOCKING STUDIES OF PLANT DERIVED NATURAL PRODUCTS TO IDENTIFY POTRNTIAL DRUGS FOR THE TREATMENT OF DIABETES

Abstract

Natural products are main sources of drug discovery. In this context groups of different set of flavonoids were taken and docked into the different cavities of the GPR40 (PDB ID: 4PHU) of Diabetes Mellitus (DM) and results were discussed. Natural compounds were found to very effective according to its binding energy and ligand efficiency score. Those compounds also have no adverse effect as carcinogenicity and mutagenicity and favorable drug likeness score. Identification and growth of naturally occurring compounds, such as flavonoids, as drugs against EDBC is in demand due to their smaller toxicity when equated to those of synthetic ones. Medicinal plants have been widely used to cure a range of contagious and non-contagious diseases. According to a study, 25% of the commonly used medicines comprise compounds extracted from plants. Several plants could propose a great reserve for drug discovery of infectious diseases, mainly in an era when the modern separation techniques are available on one hand, and the human population is confronted by a number of evolving infectious diseases on the other hand. Currently available therapeutic options for NDDM, such as dietary alteration, oral hypoglycemic, and insulin, have limitations of their own. Many natural products and herbal medicines have been suggested for the cure of diabetes. Many kinds of natural products, such as terpenoids, alkaloids, flavonoids, phenolic, and some others, have shown antidiabetic potential. Among active medicinal herbs, Momordica charantia L. (Cucurbitaceae), Pterocarpus marsupium Roxb. (Leguminoceae), and Trigonella foenum graecum L. (Leguminosae) have been reported as beneficial for treatment of type 2 diabetes. Binding interactions of drugs using docking studies is an important component of computer aided drug design paradigms. Lamarckian genetic algorithm methodology was employed for docking simulations using AutoDock4.2. The three important parameters like binding energy, inhibition constant and intermolecular energy were determined.