Molecular docking studies on potential PPAR-γ agonist from Rhizophora apiculata

  • Gurudeeban Selvaraj Center of Advanced Study in Marine Biology, Faculty of Marine Sciences, Annamalai University, Parangipettai 608502, Tamil Nadu
  • Satyavani Kaliamurthi Center of Advanced Study in Marine Biology, Faculty of Marine Sciences, Annamalai University, Parangipettai 608502, Tamil Nadu
  • Ramanathan Thirugnanasambandam Center of Advanced Study in Marine Biology, Faculty of Marine Sciences, Annamalai University, Parangipettai 608502, Tamil Nadu
Keywords: Alkaloid, Autodock, Clivorin, Mangrove, PPAR-γ, Type 2 diabetes

Abstract

Peroxisome proliferator-activated receptor gamma (PPAR-γ) agonists are beneficial in the management of diabetes by increasing insulin sensitivity and inhibiting hepatic gluconeogenesis. The aim of the present study was to isolate and evaluate PPAR-γ agonist property of phytocompounds from Rhizophora apiculata using in silico approach. 30 g powdered leaves of R. apiculata extracted through acid-base method and subjected to GC-MS analysis. GC-MS results identified 18 phytocompounds, among those major peaks were 1-adamantyl-p-methylbenzalimine, clivorin, 4-butyl pyridine, 1-oxide, acetamide and p-aminodiethylaniline. In silico analysis of major compounds on human PPAR-γ protein was determined by AutoDock 4.0. Compared to thiazolidinediones, R. apiculata derived ligands acts as a potential agonist with binding energy -4.41, -5.29, -5.28 and -4.27 kcal/mol respectively. The molecular interaction of ligands was at residues of TYR473, ILE326, ARG288, HIS323 and ARG 288 to activate the action of PPAR-γ protein.

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Published
2014-07-20
How to Cite
Selvaraj, G., S. Kaliamurthi, and R. Thirugnanasambandam. “Molecular Docking Studies on Potential PPAR-γ Agonist from Rhizophora Apiculata”. Bangladesh Journal of Pharmacology, Vol. 9, no. 3, July 2014, pp. 298-02, doi:10.3329/bjp.v9i3.18915.
Section
Research Articles