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Title

Structure based design of compounds from natural sources for diabetes and inflammation

 

Authors

Sivasubramanian Suhitha1, Krishnaswamy Gunasekaran1 & Devadasan Velmurugan1, 2*

 

Affiliation

1Centre of Advanced Study in Crystallography and Biophysics, University of Madras, Maraimalai (Guindy) Campus, Chennai 600 025, INDIA; 2Bioinformatics Infrastructure Facility, University of Madras, Maraimalai (Guindy) Campus, Chennai 600 025, India.

 

Email

shirai2011@gmail.com; *Corresponding author

 

Article Type

Hypothesis

 

Date

Received September 19, 2012; Accepted November 01, 2012; Published November 23, 2012

 

Abstract

Medicinal plants and marine sources are important elements of indigenous medical systems worldwide. The natural drugs from medicinal plants and marine sources have received considerable interest in treatment of diabetes and inflammation. Based on literature, alpha glucosidase, aldose reductase and PTP1B enzymes were chosen as anti-diabetes targets and PLA2 was chosen for the anti-inflammatory target. In our study, plant and bromophenols (BPs) inhibitors were screened using High Throughput Virtual screening (HTVS) followed by Induced Fit Docking (IFD) studies were carried out against diabetes and inflammation targets. The IFD result of natural inhibitors has showed favorable docking score, glide energy and hydrogen bonds interactions with the active site residues. Some of the natural inhibitors successively satisfied all the in silico parameters among the others and seem to be potent inhibitors against diabetes and inflammation.

 

Keywords

Diabetes, Aldose reductase, Protein tyrosine phosphatase-1B, alpha glucosidase, phospholipase A2, HTVS, IFD.

 

Citation

Suhitha et al. Bioinformation 8(22): 1125-1131 (2012)
 

Edited by

P Kangueane

 

ISSN

0973-2063

 

Publisher

Biomedical Informatics

 

License

This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License.