Title

Computational analysis of the activity of pongachalcone I against highly resistant bacteria Pseudomonas putida

Authors

Satya B. Paul¹, Sudip Choudhury^2,*

Affiliation

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

Email

sudipch1@gmail.com

Article Type

Hypothesis

Date

Received March 02, 2010; accepted April 10, 2010; published April 30, 2010

Abstract

TtgR is a multi-drug binding protein in the gram negative bacteria Pseudomonas putida (DOT-T1E strain) and regulates one of the key mechanisms of its antibiotic resistance by active extrusion of toxic compounds through the membrane-bound efflux pumps. The paper reports the molecular docking studies of Pongachalcone I, a natural pyranochalcone and reported potent inhibitor of the bacteria, on the transcriptional regulator (TtgR) enzyme (PDB Code: 2UXI) which is a key efflux pump TtgABC operon repressor. Although the bacterium is capable to expel antibiotics like Chloramphenicol, Tetracycline and Naringenin, yet Pongachalcone I has potent activity against it. The work unveils the key roles played by the residues ASN 110 and CYS 137 in the active site of the enzyme, which would be highly beneficial in providing insight into the molecular mechanism of multiple drug recognition and in designing drugs for antibiotic resistance bacteria.
 

Keywords

Pseudomonas putida, pyranochalcones, TtgR, docking

Citation

Paul et al. Bioinformation 04(10): 000 (2010)

Edited by

P.Kangueane

ISSN

0973-2063

Publisher

Biomedical Informatics

License

This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License.