Elucidating pyrazinamide resistance in mycobacterium tuberculosis by molecular docking.

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dc.contributor.authorUnissa, A Nusrath
dc.contributor.authorSudha, S
dc.contributor.authorSelvakumar, N
dc.date.accessioned2015-08-21T11:30:38Z
dc.date.available2015-08-21T11:30:38Z
dc.date.issued2011-10
dc.description.abstractPyrazinamide (PZA) - an important drug in the anti-tuberculosis therapy, activated by an enzyme Pyrazinamidase (PZase). The basis of PZA resistance in Mycobacterium tuberculosis (Mtb) is owing to mutation in pncA gene coding for PZase. The identification of the structural or functional defects in the mutant enzymes leading to resistance still remains an area to be explored. The Wild-type (WT) and five mutant models Asp8Gly, Lys96Thr, Ser104Arg, Cys138Ser and Cys138Tyr were docked with PZA and its derivatives. In the present study, docking results has aided in predicting the best form of PZA to bind with mutants of PZase to be compounds-10 and 4. These models represent the first in-silico evidence for the binding interaction of PZase with PZA derivatives/analogues. The models may provide useful chemical insights for designing new anti-TB agents in order to overcome the resistance developed with PZA.en_US
dc.identifier.citationUnissa A Nusrath, Sudha S, Selvakumar N. Elucidating pyrazinamide resistance in mycobacterium tuberculosis by molecular docking. International Journal of Applied Biology and Pharmaceutical Technology. 2011 Oct-Dec; 2(4): 19-29.en_US
dc.identifier.issn0976-4550
dc.identifier.urihttps://imsear.searo.who.int/handle/123456789/162289
dc.language.isoenen_US
dc.source.urihttps://www.ijabpt.com/Details.aspx?fid=429en_US
dc.subjectMycobacterium tuberculosisen_US
dc.subjectPZaseen_US
dc.subjectPZA resistanceen_US
dc.subjectMutantsen_US
dc.subjectDerivativesen_US
dc.subjectDockingen_US
dc.titleElucidating pyrazinamide resistance in mycobacterium tuberculosis by molecular docking.en_US
dc.typeArticleen_US
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