Fazeela Mehaboob Begum SM, Zakia Fathima S, Priya S, Sundararajan R, Hemalatha S
Aim: The goal of this study is to analyze the compounds with high binding affinity to Peroxisome Proliferator- Activated Receptor Gamma (PPARγ) by molecular docking and analyze the resulting medicinal plant by in vitro analysis.
Background: Diabetes Mellitus is a multifactorial disease leading to the several complications and thus, demanding for a therapeutic approach. Medicinal plants with several anti-diabetic compounds play an important role in treating diabetes. In this study, we report twenty eight compounds from fifteen Indian medicinal plants by targeting PPARγ, using an in silico approach. PPARγ is involved in adipocyte differentiation, glucose homeostasis, lipid storage and also improve insulin sensitivity and glucose tolerance and thus, helping in the treatment of diabetes. The goal of this study is to analyze the compounds with high binding affinity by molecular docking.
Results: The qualified herbal ligand Andrographolide has high binding potential against the target protein receptor, PPARγ. The resulting ligand was also found to be fit with good druggable character, as per Lipinski’s rule of five. Thus, this ligand could be a potential drug candidate for treating diabetes mellitus. The resulting medicinal plant was subjected to in vitro analysis where phytochemical evaluation, anti-oxidant activity, anti-diabetic activity, antiinflammatory activity and the anti-glycation activity of the five different solvent extracts were determined. The results obtained indicated that the extracts possess a significant level of activity and are concentration dependent.