Molecular docking studies on the activity of naturally occurring pyranochalcones on the transcriptional regulator enzyme of Pseudomonas putida

Original Research

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Authors: Satya B Paul, Sudip Choudhury

Published Date June 2010 Volume 2010:2 Pages 61 - 66

DOI: http://dx.doi.org/10.2147/OAB.S10901

Satya B Paul¹, Sudip Choudhury²

¹Department of Chemistry, Assam University, Silchar-788011, Assam, India; ²Department of Chemistry, Gurucharan College, Silchar-788004, Assam, India

Abstract: The paper reports the in-silico docking results of 10 naturally occurring pyranochalcones on the transcriptional regulator (TtgR) enzyme, which is a key efflux pump TtgABC operon repressor in the Gram-negative bacteria Pseudomonas putida (DOT-T1E strain) as the receptor. TtgR is a multidrug-binding protein and regulates one of the key mechanisms of its antibiotic resistance by active extrusion of toxic compounds through the membrane-bound efflux pumps. Although the bacteria exhibits resistance against a number of antibiotics, one natural pyranochalcone Pongachalcone I has been reported to be active against it. The presence of alkoxy moiety in the aromatic side unit of the pyranochalcones seems to be instrumental in binding

Keywords: TtgR, docking, in-silico, antibiotic resistance