Molecular docking studies on potential PPAR-γ agonist from Rhizophora apiculata
DOI:
https://doi.org/10.3329/bjp.v9i3.18915Keywords:
Alkaloid, Autodock, Clivorin, Mangrove, PPAR-γ, Type 2 diabetesAbstract
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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References
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.
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