Determining the unbinding events and conserved motions associated with the pyrazinamide release due to resistance mutations of Mycobacterium tuberculosis pyrazinamidase:

Amamuddy, Olivier S; Musyoka, Thommas M; Boateng, Rita A; Zabo, Sophakama; Tastan Bishop, Özlem

Title: Determining the unbinding events and conserved motions associated with the pyrazinamide release due to resistance mutations of Mycobacterium tuberculosis pyrazinamidase:
Creator: Amamuddy, Olivier S
Creator: Musyoka, Thommas M
Creator: Boateng, Rita A
Creator: Zabo, Sophakama
Creator: Tastan Bishop, Özlem
Date Issued: 2020
Date: 2020
Type: text
Type: article
Identifier: http://hdl.handle.net/10962/148869
Identifier: vital:38781
Identifier: https://doi.org/10.1016/j.csbj.2020.05.0099
Description: Pyrazinamide (PZA) is the only first-line antitubercular drug active against latent Mycobacterium tuberculosis (Mtb). It is activated to pyrazinoic acid by the pncA-encoded pyrazinamidase enzyme (PZase). Despite the emergence of PZA drug resistance, the underlying mechanisms of resistance remain unclear. This study investigated part of these mechanisms by modelling a PZA-bound wild type and 82 mutant PZase structures before applying molecular dynamics (MD) with an accurate Fe2+ cofactor coordination geometry.
Format: 19 pages
Format: pdf
Language: English
Relation: Computational and Structural Biotechnology Journal
Relation: Amamuddy, O.S., Musyoka, T.M., Boateng, R.A., Zabo, S. and Bishop, Ö.T., 2020. Determining the unbinding events and conserved motions associated with the pyrazinamide release due to resistance mutations of Mycobacterium tuberculosis pyrazinamidase. Computational and Structural Biotechnology Journal, 18, pp.1102-1120.
Relation: Computational and Structural Biotechnology Journal volume 18 number 1102 1120 May 2020 2001-0370
Rights: Publisher
Rights: Use of this resource is governed by the terms and conditions of the Elsevier Terms and Conditions Statement (https://www.elsevier.com/legal/elsevier-website-terms-and-conditions)

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Tastan Bishop, Ozlem (Prof)

RU Research Unit in Bioinformatics (RUBi)

RU Department of Biochemistry, Microbiology and Bioinformatics

SDG 03. Good Health and Well-Being

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