In silico Studies on Plant Derived Rutin as Potent Agonist of Peroxisome Proliferator-activated Receptor Gamma (PPARγ).

ABSTRACT

Aims: Peroxisome proliferator-activated receptor gamma (PPARγ) agonists are beneficial in the management of diabetes by increasing insulin sensitivity and inhibiting hepatic gluconeogenesis. The aim of the present study was to investigate PPAR-γ agonist property of rutin, a flavonoid found in many plant species compared to thiazolidenediones (TZDs) using in silico approach. Methodology: Molecular docking of rutin on human PPAR-γ protein was determined by Vina plugin in PYMOL 1.3 and compared with thiazolidinediones, a known agonist of PPARγ. Results: Rutin acts as a potential agonist with binding energy of - 7.8 kcal/mol compared to thiazolidinediones with binding energy of - 4.1 kcal/mol. The molecular interaction of rutin was at residues of GLU 319, ILE 369, LEU 368, MET 362, PHE 321, PHE 310, LEU 497, ALA 320, LYS 289, ILE 354. Conclusion: We conclude that rutin is a better PPARγ agonist than TZDs confirming the capability of rutin for binding at the active site of the PPARγ.