High-throughput virtual screening of drug databanks for potential inhibitors of SARS-CoV-2 spike glycoprotein.

Awad, Ibrahim E; Abu-Saleh, Abd Al-Aziz A; Sharma, Sweta; Yadav, Arpita; Poirier, Raymond A

Awad, Ibrahim E; Abu-Saleh, Abd Al-Aziz A; Sharma, Sweta; Yadav, Arpita; Poirier, Raymond A.

Afiliación

Awad IE; Department of Chemistry, Memorial University of Newfoundland, St. John's, Canada.
Abu-Saleh AAA; Department of Chemistry, Memorial University of Newfoundland, St. John's, Canada.
Sharma S; Department of Chemistry, University Institute of Engineering and Technology, Chhatrapati Shahu Ji Maharaj University, Kanpur, India.
Yadav A; Department of Chemistry, University Institute of Engineering and Technology, Chhatrapati Shahu Ji Maharaj University, Kanpur, India.
Poirier RA; Department of Chemistry, Memorial University of Newfoundland, St. John's, Canada.

J Biomol Struct Dyn ; 40(5): 2099-2112, 2022 03.

Article en En | MEDLINE | ID: mdl-33103586

Asunto(s)

Tratamiento Farmacológico de COVID-19; Preparaciones Farmacéuticas; Glicoproteínas; Humanos; Simulación del Acoplamiento Molecular; Simulación de Dinámica Molecular; Unión Proteica; SARS-CoV-2

Palabras clave

COVID-19; SARS-CoV-2; binding energy; docking; molecular dynamics; potential inhibitors; steered molecular dynamics

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Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Asunto principal: Preparaciones Farmacéuticas / Tratamiento Farmacológico de COVID-19 Tipo de estudio: Diagnostic_studies / Screening_studies Límite: Humans Idioma: En Revista: J Biomol Struct Dyn Año: 2022 Tipo del documento: Article País de afiliación: Canadá

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