ISSN: 0973-7510

E-ISSN: 2581-690X

Pratibha Sanjenbam, Mohankumar Thenmozhi and Krishnan Kannabiran
1Division of Biomolecules and Genetics, School of Biosciences and Technology,
VIT University, Vellore – 632014, India.
J Pure Appl Microbiol. 2014;8(1):75-80
© The Author(s). 2014
Received: 15/03/2013 | Accepted: 04/06/2013 | Published: 28/02/2014
Abstract

The present study describes the insilico molecular docking of three compounds (ligands) i) Cyclopentanepropanoic acid, 3,5-bis(acetyloxy)-2-[3-(methoxyimino) octyl], methyl ester (C22H37NO7), ii) 5-Azidomethyl-3-(2-ethoxycarbonyl-ethyl)-4-ethoxy-carbonylmethyl-1H-pyrrole-2-carboxylic acid (C17H24N4O6) and iii) Akuammilan-16-carboxylic acid, 17-(acetyloxy)-10-methoxy, methyl ester (C24H28N2O5) extracted from Streptomyces sp.VITSTK7 with interleukin-13, one of the key pro-inflammatory cytokine of asthma, and the PDB ID is 1IJZ. Patch dock online tool was used to dock these three compounds with interleukin-13. All the three ligands C22H37NO7, C17H24N4O6 and C24H28N2O5 showed the binding energy of -159.59, -208.41 and -93.56 kcal/mol respectively. Hence, it could be used as a drug for asthma.

Keywords

Active sites, Asthma, Interleukin-13, Patch dock, Streptomyces sp.VITSTK7

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