In-Silico Molecular Docking Approach for the Study of Anti-asthmatic Activity of Compounds from Streptomyces sp. VITSTK7

ISSN: 0973-7510

E-ISSN: 2581-690X

In-Silico Molecular Docking Approach for the Study of Anti-asthmatic Activity of Compounds from Streptomyces sp. VITSTK7

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

Received: 15/03/2013 | Accepted: 04/06/2013 | Published: 28/02/2014

Abstract

The present study describes the in–silico 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 C₂₂H₃₇NO_7,C₁₇H₂₄N₄O₆and C₂₄H₂₈N₂O₅showed 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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