Triple Mycobacterial ATP-synthase mutations impedes Bedaquiline binding: Atomistic and structural perspectives.

Adenosine Triphosphatases / antagonists & inhibitors Antitubercular Agents / chemistry Binding Sites / drug effects Computational Biology Diarylquinolines / chemistry Enzyme Inhibitors / chemistry Microbial Sensitivity Tests Models, Molecular Molecular Structure Mutation Mycobacterium tuberculosis / drug effects Tuberculosis, Multidrug-Resistant / drug therapy
Bedaquiline F(1)F(0)-ATP synthase Molecular dynamic simulations Multi-Drug resistant TB Mycobacterium tuberculosis

Journal

Computational biology and chemistry
ISSN: 1476-928X
Titre abrégé: Comput Biol Chem
Pays: England
ID NLM: 101157394

Informations de publication

Date de publication:
Apr 2020
Historique:
received: 21 06 2019
revised: 06 01 2020
accepted: 13 01 2020
pubmed: 26 1 2020
medline: 7 1 2021
entrez: 26 1 2020
Statut: ppublish

Résumé

Bedaquiline (BDQ) has demonstrated formidable bactericidal activity towards Mycobacterium tuberculosis (Mtb) in the treatment of multi-drug resistant (MDR) and extensively drug resistant (XDR) tuberculosis (TB). BDQ elicits its therapeutic function by halting the ionic shuttle of Mtb via mycobacterial F

Identifiants

DOI: 10.1016/j.compbiolchem.2020.107204 PMID: 31981966
pubmed: 31981966
pii: S1476-9271(19)30555-9
doi: 10.1016/j.compbiolchem.2020.107204
pii:
doi:

Substances chimiques

Antitubercular Agents 0
Diarylquinolines 0
Enzyme Inhibitors 0
bedaquiline 78846I289Y
Adenosine Triphosphatases EC 3.6.1.-

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

107204

Informations de copyright

Copyright © 2020 Elsevier Ltd. All rights reserved.

Auteurs

Elliasu Y Salifu (EY)

Molecular Bio-computation and Drug Design Laboratory, School of Health Sciences, University of KwaZulu-Natal, Westville Campus, Durban, 4001, South Africa.

Clement Agoni (C)

Molecular Bio-computation and Drug Design Laboratory, School of Health Sciences, University of KwaZulu-Natal, Westville Campus, Durban, 4001, South Africa.

Fisayo A Olotu (FA)

Molecular Bio-computation and Drug Design Laboratory, School of Health Sciences, University of KwaZulu-Natal, Westville Campus, Durban, 4001, South Africa.

Mahmoud E S Soliman (MES)

Molecular Bio-computation and Drug Design Laboratory, School of Health Sciences, University of KwaZulu-Natal, Westville Campus, Durban, 4001, South Africa. Electronic address: soliman@ukzn.ac.za.

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Classifications MeSH

questionsmedicales.fr › Enzymes et coenzymes › Enzymes › Hydrolases › Acid anhydride hydrolases › Adenosine triphosphatases › Triple Mycobacterial ATP-synthase mutations...
questionsmedicales.fr › Actions chimiques et utilisations › Actions pharmacologiques › Utilisations thérapeutiques › Anti-infectieux › Antibactériens › Antituberculeux › Triple Mycobacterial ATP-synthase mutations...
questionsmedicales.fr › Phénomènes chimiques › Phénomènes biochimiques › Sites de fixation › Triple Mycobacterial ATP-synthase mutations...
questionsmedicales.fr › Sciences de l'information › Informatique › Biologie informatique › Triple Mycobacterial ATP-synthase mutations...
questionsmedicales.fr › Composés hétérocycliques › Composés hétérocycliques à cycles fusionnés › Composés hétérobicycliques › Quinoléines › Diarylquinoléines › Triple Mycobacterial ATP-synthase mutations...
questionsmedicales.fr › Actions chimiques et utilisations › Actions pharmacologiques › Mécanismes moléculaires de l'action pharmacologique › Antienzymes › Triple Mycobacterial ATP-synthase mutations...
questionsmedicales.fr › Techniques d'investigation › Évaluation préclinique de médicament › Tests de sensibilité microbienne › Triple Mycobacterial ATP-synthase mutations...
questionsmedicales.fr › Techniques d'investigation › Modèles théoriques › Modèles moléculaires › Triple Mycobacterial ATP-synthase mutations...
questionsmedicales.fr › Phénomènes chimiques › Structure moléculaire › Triple Mycobacterial ATP-synthase mutations...
questionsmedicales.fr › Phénomènes génétiques › Variation génétique › Mutation › Triple Mycobacterial ATP-synthase mutations...
questionsmedicales.fr › Bactéries › Bactéries à Gram positif › Bâtonnets à Gram positif › Bâtonnets asporogènes à Gram positif › Bâtonnets asporogènes réguliers à Gram positif › Mycobacteriaceae › Mycobacterium › Mycobacterium tuberculosis › Triple Mycobacterial ATP-synthase mutations...
questionsmedicales.fr › Infection › Infections bactériennes et mycoses › Infections bactériennes › Infections bactériennes à Gram positif › Infections à Actinomycetales › Infections à Mycobacterium › Tuberculose › Tuberculose multirésistante › Triple Mycobacterial ATP-synthase mutations...