Targeting allosteric pockets of SARS-CoV-2 main protease M<sup>pro</sup>.

Bhat, Zahoor Ahmad; Chitara, Dheeraj; Iqbal, Jawed; Sanjeev, B S; Madhumalar, Arumugam

Targeting allosteric pockets of SARS-CoV-2 main protease M^pro.

Bhat, Zahoor Ahmad; Chitara, Dheeraj; Iqbal, Jawed; Sanjeev, B S; Madhumalar, Arumugam.

Afiliación

Bhat ZA; Multidisciplinary Centre for Advanced Research and Studies, Jamia Millia Islamia, New Delhi, India.
Chitara D; Department of Applied Sciences, Indian Institute of Information Technology, Allahabad, Allahabad, Uttar Pradesh, India.
Iqbal J; Multidisciplinary Centre for Advanced Research and Studies, Jamia Millia Islamia, New Delhi, India.
Sanjeev BS; Department of Applied Sciences, Indian Institute of Information Technology, Allahabad, Allahabad, Uttar Pradesh, India.
Madhumalar A; Multidisciplinary Centre for Advanced Research and Studies, Jamia Millia Islamia, New Delhi, India.

J Biomol Struct Dyn ; 40(14): 6603-6618, 2022 09.

Article en En | MEDLINE | ID: mdl-33645457

Asunto(s)

Tratamiento Farmacológico de COVID-19; SARS-CoV-2; Antivirales/farmacología; Proteasas 3C de Coronavirus; Cisteína Endopeptidasas; Humanos; Simulación del Acoplamiento Molecular; Simulación de Dinámica Molecular; Inhibidores de Proteasas/farmacología

Palabras clave

Allostery; COVID-19; Elbasvir; Glecaprevir; Mpro protease; Ritonavir; SARS-CoV-2; combination therapy; molecular dynamics simulations

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Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Asunto principal: SARS-CoV-2 / Tratamiento Farmacológico de COVID-19 Límite: Humans Idioma: En Revista: J Biomol Struct Dyn Año: 2022 Tipo del documento: Article País de afiliación: India

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