In silico Docking Analysis of Active Biomolecules from Cissus quadrangularis L. against PPAR-γ

Abstract

Introduction: Thiazolidinedione’s are widely used synthetic antidiabetic agents. These agents affect the pumping power of heart muscle due to the formation of edema; limiting their usage in patients with congestive heart failure. The current study was aimed to perform in silico docking study of bioactive phytoconstituents from Cissus quadrangularis Linn. against the target Peroxisome proliferator-activated gamma (PPAR-γ).Materials and Methods: The docking study was performed by using AutoDock 4.2. The chemical constituents were retrieved from the PubChem database. The pharmacokinetic and toxicological parameters of each compound were predicted using PreADMET online server. The drug-likeness character of each compounds were predicted using Molsoft.Results: Quercetin scored highest drug-likeness character. Among the seven compounds, four compounds scored positive drug-likeness score. Qaudrangularin A showed highest binding affinity with the target protein.Discussion: All the compounds showed the binding affinity with the target protein suggesting that the compounds from Cissus quadrangularis can be utilized to target PPAR-γ in the management of diabetes. The study suggests supporting the current study by performing wet lab experiments.

Keywords: Cissus quadrangularis; Diabetes Mellitus; Lipinski rule of five; Molecular; Docking; PPAR-γ