Mechanistic insights of key host proteins and potential repurposed inhibitors regulating SARS-CoV-2 pathway.

Pramanik, Debabrata; Pawar, Aiswarya B; Roy, Sudip; Singh, Jayant Kumar

Pramanik, Debabrata; Pawar, Aiswarya B; Roy, Sudip; Singh, Jayant Kumar.

Afiliação

Pramanik D; Department of Chemical Engineering, Indian Institute of Technology Kanpur, Kanpur, India.
Pawar AB; Prescience Insilico Private Limited, Bangalore, India.
Roy S; Prescience Insilico Private Limited, Bangalore, India.
Singh JK; Department of Chemical Engineering, Indian Institute of Technology Kanpur, Kanpur, India.

J Comput Chem ; 43(18): 1237-1250, 2022 07 05.

Article em En | MEDLINE | ID: mdl-35535951

Assuntos

Tratamento Farmacológico da COVID-19; SARS-CoV-2; Antivirais/química; Antivirais/farmacologia; Humanos; Pandemias

Palavras-chave

dissociation pathways; host proteins; inhibitors; metadynamics; molecular dynamics

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: SARS-CoV-2 / Tratamento Farmacológico da COVID-19 Limite: Humans Idioma: En Revista: J Comput Chem Ano de publicação: 2022 Tipo de documento: Article

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