Peramivir binding affinity with influenza A neuraminidase and research on its mutations using an induced-fit docking approach.

Tran-Nguyen, V K; Le, M T; Tran, T D; Truong, V D; Thai, K M

Tran-Nguyen, V K; Le, M T; Tran, T D; Truong, V D; Thai, K M.

Tran-Nguyen VK; Department of Medicinal Chemistry, Faculty of Pharmacy, University of Medicine and Pharmacy at Ho Chi Minh City, Ho Chi Minh City, Vietnam.
Le MT; Department of Medicinal Chemistry, Faculty of Pharmacy, University of Medicine and Pharmacy at Ho Chi Minh City, Ho Chi Minh City, Vietnam.
Tran TD; School of Medicine, Vietnam National University Ho Chi Minh City, Ho Chi Minh City, Vietnam.
Truong VD; Department of Medicinal Chemistry, Faculty of Pharmacy, University of Medicine and Pharmacy at Ho Chi Minh City, Ho Chi Minh City, Vietnam.
Thai KM; Department of Medicinal Chemistry, Faculty of Pharmacy, University of Medicine and Pharmacy at Ho Chi Minh City, Ho Chi Minh City, Vietnam.

SAR QSAR Environ Res ; 30(12): 899-917, 2019 Dec.

Article en En | MEDLINE | ID: mdl-31645133

Asunto(s)

Antivirales/química; Ciclopentanos/química; Inhibidores Enzimáticos/química; Guanidinas/química; Neuraminidasa/química; Proteínas Virales/química; Ácidos Carbocíclicos; Sitios de Unión; Concentración 50 Inhibidora; Simulación del Acoplamiento Molecular; Mutación; Neuraminidasa/antagonistas & inhibidores; Neuraminidasa/genética; Relación Estructura-Actividad Cuantitativa; Proteínas Virales/antagonistas & inhibidores; Proteínas Virales/genética

Palabras clave

Influenza A virus; binding affinity; in silico mutation; induced-fit docking; inhibitor; neuraminidase; peramivir

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Texto completo: 1 Banco de datos: MEDLINE Asunto principal: Antivirales / Proteínas Virales / Ciclopentanos / Inhibidores Enzimáticos / Guanidinas / Neuraminidasa Idioma: En Año: 2019 Tipo del documento: Article

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