Molecular dynamic assisted investigation on impact of mutations in deazaflavin dependent nitroreductase against pretomanid: a computational study.

Singh, Ravi; Shaheer, Muhammed; Sobhia, M Elizabeth

Singh, Ravi; Shaheer, Muhammed; Sobhia, M Elizabeth.

Afiliación

Singh R; Department of Pharmacoinformatics, National Institute of Pharmaceutical Education and Research (NIPER), Punjab, India.
Shaheer M; Department of Pharmacoinformatics, National Institute of Pharmaceutical Education and Research (NIPER), Punjab, India.
Sobhia ME; Department of Pharmacoinformatics, National Institute of Pharmaceutical Education and Research (NIPER), Punjab, India.

J Biomol Struct Dyn ; 41(10): 4421-4443, 2023 Jul.

Article en En | MEDLINE | ID: mdl-35574601

Asunto(s)

Mycobacterium tuberculosis; Nitroimidazoles; Simulación de Dinámica Molecular; Ligandos; Nitroimidazoles/farmacología; Nitroimidazoles/química; Nitroimidazoles/metabolismo; Mycobacterium tuberculosis/genética; Mutación; Nitrorreductasas/genética; Nitrorreductasas/química; Nitrorreductasas/metabolismo; Antituberculosos/farmacología

Palabras clave

Ddn; F420H2; FDOR; MD simulation; delamanid; docking; flexibility; hydrophobic shielding; mutation; pretomanid

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Mycobacterium tuberculosis / Nitroimidazoles Idioma: En Revista: J Biomol Struct Dyn Año: 2023 Tipo del documento: Article País de afiliación: India Pais de publicación: Reino Unido

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