Unissa, A N and Sudha, S and Selvakumar, N (2011) Elucidating pyrazinamide resistance in Mycobacterium tuberculosis by molecular docking. International Journal of Applied Biology and Pharmaceutical Technology, 2 (4). pp. 19-29. ISSN 0976 4550
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Abstract
Pyrazinamide (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.
| Affiliation: | ICMR-National Institute for Research in Tuberculosis |
|---|---|
| Item Type: | Article |
| Uncontrolled Keywords: | Mycobacterium tuberculosis, PZase, PZA resistance, Mutants, Derivatives, Docking |
| Subjects: | Tuberculosis > Laboratory Research > Bacteriological |
| Divisions: | Basic Science Research > Bacteriology |
| Depositing User: | Dr. Rathinasabapati R |
| Date Deposited: | 22 Jun 2022 06:20 |
| Last Modified: | 22 Jun 2022 06:20 |
| URI: | http://eprints.nirt.res.in/id/eprint/1120 |
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