Title: Preclinical evaluation and molecular docking of 2,5-di-tert-butyl-1,4-benzoquinone (DTBBQ) from Streptomyces sp. VITVSK1 as a potent antibacterial agent

Authors: Vinay Gopal Jannu; Pratibha Sanjenbam; Krishnan Kannabiran

Addresses: Division of Biomolecules and Genetics, School of Biosciences and Technology, VIT University, Technology Tower-635, Vellore 632014, Tamil Nadu, India ' Division of Biomolecules and Genetics, School of Biosciences and Technology, VIT University, Technology Tower-635, Vellore 632014, Tamil Nadu, India ' Division of Biomolecules and Genetics, School of Biosciences and Technology, VIT University, Technology Tower-635, Vellore 632014, Tamil Nadu, India

Abstract: The incidence of bacterial disease has increased tremendously in the last decade, because of the emergence of drug resistance strains within the bacterial pathogens. The present study was to investigate the antibacterial compound 2,5-di-tert-butyl-1,4-benzoquinone (DTBBQ) isolated from marine Streptomyces sp. VITVSK1 as a potent antibacterial agent. The antibacterial potential of DTBBQ was investigated against RNA Polymerase (PDB ID-1I6V) by in silico molecular docking tools. Results of our study showed the high affinity interaction between DTBBQ and RNA polymerase and also confirmed the drug likeliness of DTBBQ using ADMET in silico pharmacology tools. Our findings suggest that DTBBQ could be used as antibacterial drug to defend the emerging antibacterial resistance.

Keywords: RNA polymerase; 2,5-di-tert-butyl-1,4-benzoquinone; DTBBQ; preclinical evaluation; Streptomyces sp. VITVSK1; bioinformatics; molecular docking; antibacterial agents; bacterial disease; drug resistance; antibacterial resistance.

DOI: 10.1504/IJBRA.2015.068089

International Journal of Bioinformatics Research and Applications, 2015 Vol.11 No.2, pp.142 - 152

Received: 17 Aug 2013
Accepted: 23 Sep 2013
Published online: 17 Mar 2015 *

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