Molecular Docking Of Bioactive Compounds From Syzygium Aqueum Against Type 2 Diabetes Susceptibility Gene TCF7L2

Authors

  • P.Mani Department of Biotechnology, Annai College of Arts and Science, Kumbakonam, Tamilnadu, India.
  • Menakha Sridhar Department of Biotechnology, MASS College of Arts and Science, Kumbakonam, Tamilnadu, India
  • M. Sangeetha Department of Microbiology, Kamaraj College, Tuticorin, Tamilnadu, India
  • Esther Motaro4 Centre for Futures Studies, Gandhigram Rural Institute, Dindigul, Tamil Nadu – 624 302, India.
  • R. Vijayakumar Department of Biology, College of Science in Zulfi, Majmaah University, Majmaah 11952, Saudi Arabia.

Keywords:

Diabetes mellitus, TCF7L2 gene, Syzygium aqueum, bioactive compound, molecular docking

Abstract

curing diabetes mellitus (DM). Untreated Type 2 DM leads to several complications and need continuous medical treatment. In addition, there is an immediate need to find natural therapy using bioactive compounds for DM to reduce side effects. However, there is a lacking of in silico studies to develop drug molecule using S. aqueum. In the present study, 14 bioactive compounds isolated from the S.aqueum leaf extracts and identified using GC-MS analysis. The identified compound tested against TCF7L2 gene, which is potential indicator gene for type 2 DM through molecular docking. Among 14 compounds tested, 1-Monolinoleoylglycerol trimethylsilyl ether showed high-energy values and considered as good bioactive compound against type 2 diabetes susceptibility gene TCF7L2.   

Downloads

Download data is not yet available.

References

Chen, Jie& Craven, Lyn A., "Syzygium", in Wu, Zhengyi; Raven, Peter H. & Hong, Deyuan, 2015. Flora of China (online), eFloras.org, retrieved -08-13.

Reddy E, Siva Rami. Syzygiumcumini: a review of its phytochemical and homoeopathic uses. Int. Res. J. Medical Sci., 2017; 5(4):1-4.

Manaharan T, Appleton D, Cheng HM, Palanisamy UD. Flavonoids isolated from Syzygiumaqueum leaf extract as potential antihyperglycemic agents. Food Chem. 2012;132:1802–1807

Manaharan T, Cheng HM, Palanisamy UD. Syzygium aqueum leaf extract and its bioactive compounds enhances pre-adipocyte differentiation and 2-NBDG uptake in 3T3-L1 cells. Food Chem. 2013;136:354–363.

Kaveeshwar SA, Cornwall J. The current stat of diabetes mellitus in Inida. Australas Med J. 2014; 7(1): 45–48.

Kitabchi AE, Umpierrez GE, Miles JM, Fisher JN. Hyperglycemic crises in adult patients with diabe-tes.Diabetes Care., 2009;32 (7): 1335-43.

Castrop J, van Norren K, Clevers H. A gene family of HMG-box transcription factors with homology to TCF-1. Nucleic Acids Res., 1992;20 (3): 611.

Tang W, Dodge M, Gundapaneni D, Michnoff C, Roth M, Lum L. "A genome-wide RNAi screen for Wnt/beta-catenin pathway components identifies unexpected roles for TCF transcription factors in cancer". Proc. Natl. Acad. Sci. U.S.A., 2008;105 (28): 9697-702.

Madsen U, Krogsgaard-Larsen P, Liljefors T. 2002. Textbook of Drug Design and Discovery. Washington, DC: Taylor & Francis. ISBN 0-415-28288-8.

Cohen N, Claude 1996. Guidebook on Molecular Modeling in Drug Design. Boston: Academic Press. ISBN 0-12-178245-X.

Tollenaere JP. The role of structure-based ligand design and molecular modelling in drug discovery. Pharm World Sci., 1996;18 (2): 56-62.

Schechter I. Mapping of the active site of proteases in the 1960s and rational design of inhibitors/drugs in the 1990s. Current Protein and Peptide Science., 2005;6: 501-512.

Hetényi C, van der Spoel D. Blind docking of drug-sized compounds to proteins with up to a thousand residues. FEBS Lett., 2006;580 (5):1447-50.

Davis IW, Raha K, Head MS, Baker D. Blind docking of pharmaceutically relevant compounds using Rosetta Ligand. Protein Sci., 2009; 18(9):1998-2002.

Moitessier N, Englebienne P, Lee D, Lawandi J, Corbeil CR. Towards the development of universal, fast and highly accurate docking/scoring methods: a long way to go. Br J Pharmacol., 2008;153(1): S7-S26.

Wang R, Gao Y, Lai L. LigBuilder: A Multi-Purpose Program for Structure-Based Drug Design. Journal of Molecular Modeling., 2000;6 (7-8): 498-516.

Schneider G, Fechner U. Computer-based de novo design of drug-like molecules. Nat Rev Drug Discov., 2005; 8: 649-63.

Jorgensen WL. The many roles of computation in drug discovery. Science., 2004;303 (5665):1813-8.

Leusch H, Moore R E, Paul V J, Mooberry S L, Corbett T H. Isolation of dolastatin 10 from the marine cyanobacterium Symploca sp. VP642 and total stereochemistry and biological evaluation of its analogue symplostatin 1. J. Nat. Prod., 2001;64:907-910.

http://www.chemspider.com/

http://www.spdbv.vital-it.ch/

http://www.uniprot.org/

http://www.schrodinger.com/

Vaquero AR, Ferreira NE, Omae SV, Rodrigues MV,Teixeira SK, Krieger JE, Pereira AC. Using gene-network landscape to dissect genotype effects of TCF7L2 genetic variant on diabetes and cardiovascular risk. Physiol. Genomics., 2012;44 (19): 903-14.

Jin T, Liu L. The Wnt signaling pathway effector TCF7L2 and type 2 diabetes mellitus. Mol. Endocrinol., 2008; 22 (11): 2383-92.

Zhang C, Bao W, Rong Y, Yang H, Bowers K, Yeung E, Kiely M. Genetic variants and the risk of gestational diabetes mellitus: a systematic review. Hum. Reprod. Update., 2013;19 (4): 376-90.

Tang W, Dodge M, Gundapaneni D, Michnoff C, Roth M, Lum L. A genome-wide RNAi screen for Wnt/beta-catenin pathway components identifies unexpected roles for TCF transcription factors in cancer. Proc. Natl. Acad. Sci. U.S.A. 2008;105 (28): 9697–702

Senthil Janarthanan, Rameashkannan Madurai Vardharajulu , Mani Panagal. Molecular docking identification of best drug molecule from Ipomoea sepiaria (Koenig Ex. Roxb) leaves against type 2 Diabetes Mellitus, Int.J.Curr.Biotechnol., 2016; 4(4):7-12.

Meenakshi V K, Gomathy S, Senthamarai S, Paripooranaselvi M, Chamundeswari K P. J.Current Chem& Pharm Sci. 2012; 24: 271-276.

Sagrawat H. Pharmacological Potential of Eugenia Jambolana: A Review. Pharmaco-genesis Magazice, 2006; 2(6): 96-105.

Veigas J, Narayan M, Neelwarne B, Laxman P. Chemical Nature, Stability and Bio Efficacies of Antho-cyanins from Fruit Peel of SyzygiumcuminiSkeels. Food Chemistry, 2007; 105(2):619-627.

Kitchen DB, Decornez H, Furr JR, Bajorath J. Docking and scoring in virtual screening for drug discovery: methods and applications. Nature reviews. Drug discovery. 2004;3: 935-949.

Published

2018-02-21
Statistics
186 Views | 331 Downloads
Citatons

How to Cite

P.Mani, Menakha Sridhar, M. Sangeetha, Esther Motaro4, and R. Vijayakumar. “Molecular Docking Of Bioactive Compounds From Syzygium Aqueum Against Type 2 Diabetes Susceptibility Gene TCF7L2”. International Journal of Pharmaceutics and Drug Analysis, vol. 6, no. 2, Feb. 2018, pp. 271-8, https://ijpda.org/index.php/journal/article/view/352.

Issue

Section

Research Articles
Share |