Structural analyses and classification of novel isoniazid resistance coupled mutational landscapes in <i>Mycobacterium tuberculosis</i>: a combined molecular docking and MD simulation study.

Shahbaaz, Mohd; Qari, Sameer H; Abdellattif, Magda H; Hussien, Mostafa A

Structural analyses and classification of novel isoniazid resistance coupled mutational landscapes in Mycobacterium tuberculosis: a combined molecular docking and MD simulation study.

Shahbaaz, Mohd; Qari, Sameer H; Abdellattif, Magda H; Hussien, Mostafa A.

Afiliação

Shahbaaz M; South African Medical Research Council Bioinformatics Unit, South African National Bioinformatics Institute, University of the Western Cape, Bellville, Cape Town, South Africa.
Qari SH; Laboratory of Computational Modeling of Drugs, South Ural State University, Chelyabinsk, Russia.
Abdellattif MH; Biology Department, Aljumum University College, Umm Al-Qura University, Makkah, Saudi Arabia.
Hussien MA; Department of Chemistry, College of Science, Deanship of Scientific Research, Taif University, Taif, Saudi Arabia.

J Biomol Struct Dyn ; 40(11): 4791-4800, 2022 07.

Article em En | MEDLINE | ID: mdl-33345744

Assuntos

Isoniazida; Mycobacterium tuberculosis; Antituberculosos/farmacologia; Proteínas de Bactérias/química; Catalase/química; Isoniazida/farmacologia; Testes de Sensibilidade Microbiana; Simulação de Acoplamento Molecular; Simulação de Dinâmica Molecular; Mutação

Palavras-chave

Mycobacterium tuberculosis; drug resistance; isoniazid tolerance; molecular docking; molecular dynamics simulations; mutational landscape

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Isoniazida / Mycobacterium tuberculosis Tipo de estudo: Prognostic_studies Idioma: En Revista: J Biomol Struct Dyn Ano de publicação: 2022 Tipo de documento: Article País de afiliação: África do Sul

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