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Title
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Computational analysis of the activity of pongachalcone I against highly resistant bacteria Pseudomonas putida
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Authors
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Satya B. Paul1, Sudip Choudhury2,* | |
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Affiliation
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1Department of Chemistry, Assam University, Silchar, Assam-788011, India; 2Department of Chemistry, Gurucharan College, Silchar, Assam-788004, India.
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sudipch1@gmail.com | |
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Article Type
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Hypothesis | |
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Date
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Received March 02, 2010; accepted April 10, 2010; published April 30, 2010 | |
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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. | |
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Keywords |
Pseudomonas putida, pyranochalcones, TtgR, docking
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Citation
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Paul et al. Bioinformation 04(10): 000 (2010) | |
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Edited by
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P.Kangueane
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ISSN
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0973-2063
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Publisher
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Copyright
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Publisher
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Copyright Transfer Agreement
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The authors of published articles in Bioinformation automatically transfer the copyright to the publisher upon formal acceptance. However, the authors reserve right to use the information contained in the article for non commercial purposes.
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License
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This is an open-access article, which permits unrestricted use, distribution, and reproduction in any medium, for non-commercial purposes, provided the original author and source are credited.
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