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


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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Braissant O, Foufellie F, Scotto C, Dauca M, Wahli W. Differential expression of peroxisome proliferator-activated receptors (PPARs): Tissue distribution of PPAR-α, -β and -γ in the adult rat. Endocrinology 1996; 137: 354–66.

Evans RM, Barish GD, Wang YX. PPARs and the complex journey to obesity. Nat Med. 2004; 10: 355–61.

Gurudeeban S. Studies on type II diabetes and formulation of tablets from DNA bar-coded Rhizophora apiculata Blume derived glycosin on streptozotocin-induced diabetic rats: in vivo, in silico and molecular approaches. Annamalai University, Tamil Nadu, India, 2013, p 283.

Gurudeeban S, Ramanathan T, Satyavani K. Antimicrobial and radical scavenging effect of alkaloid elutes from Rhizophora mucronata. Pharm Chem J. 2013; 47: 50–54.

Jain S, Pulikuri S, Zhu Y, Qi C, Kanwar YS, Yeldandi AV, Rao MS, Reddy JK. Differential expression of the peroxisome proliferator-activated receptor γ (PPAR γ) and its coactivators steroid receptor coactivator-1 and PPAR-binding protein PBP in the brown fat, urinary bladder, colon and breast of the mouse. Am J Pathol. 1998; 153: 349–54.

James S, Denise EB. Quantification of major tobacco alkaloids by high performance liquid chromatography. J Chromatogr. 1981; 205: 147-54.

Kliewer SA, Willson TM. The nuclear receptor PPAR-γ: Bigger than fat. Curr Opin Genet Dev. 1998; 8: 576–81.

Muller G. Let’s shift lipid burden: From large to small adipocytes. Eur J Pharmacol. 2011; 656: 1–4.

Penumetcha M, Santanam N. Nutraceuticals as ligands of PPARγ. PPAR Res. 2012; 97: 1182–86.

Prabhu VV, Guruvayoorappan C. Anti-inflammatory and anti-tumour activity of the marine mangrove Rhizophora apiculata. J Immuotoxicol. 2012; 9: 341–52.

Satyavani K, Gurudeeban S, Ramanathan T, Balasubramanian T. Radical scavenging effect and GCMS identification of alkaloid fractions from Excoecaria agallocha L. Inventi Rapid: Ethnopharmacol. 2014; 1: 1–4.

Schneider M. An oxidized fat containing diet decreases weight gain but increases adiposity in mice fed a low fat diet. Department of Nutrition, Georgia State University, Atlanta, Georgia, 2009, pp 27.

Scholtysik G, Lauener H, Eichenberger H, Burki H, Salzmann R, Muller-Schweinitzer E, Waite R. Pharmacological actions of the antihypertensive agent N-amidino-2-(2,6-dichloro-phenyl) acetamide hydrochloride (BS 100-141). Arzneimi-ttelforschung 1975; 25: 1483-91.

Schoonjans K, Staels B, Auwerx J. The peroxisome proliferator-activated receptors (PPARs) and their effects on lipid metabolism and adipocyte differentiation. Biochem Biophys Acta. 1996; 1302: 93–109.

Spiegelman BM. PPAR-γ: Adipogenic regulator and thiazolidinedione receptor. Diabetes 1998; 47: 507–14.

Vinod Prabhu V, Abel Kuruvilla C, Guruvayoorappan C. Potentiating effect of 1, 2-diazole a plant alkaloid on carrageenan and formalin induced paw edema in experimental mice. Int J Pharmcol Pharm Sci. 2012; 4: 3.

Zieleniak A, Wojcik M, Wozniak LA. Structure and physio-logical functions of the human peroxisome proliferator-activated receptor gamma. Arch Immunol Ther Exp. 2008; 56: 331–45.

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.
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