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

lecular docking studies on the activity of naturally occurring pyranochalcones on the transcriptional regulator enzyme of Pseudomonas putida Original Research (5549) Total Article Views 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