A threefold approach including quantum chemical, molecular docking and molecular dynamic studies to explore the natural compounds from Centaurea jacea as the potential inhibitors for COVID-19.

Muhammad, S; Maqbool, M F; Al-Sehemi, A G; Iqbal, A; Khan, M; Ullah, S; Khan, M T

Muhammad, S; Maqbool, M F; Al-Sehemi, A G; Iqbal, A; Khan, M; Ullah, S; Khan, M T.

Afiliação

Muhammad S; King Khalid University, College of Science, Department of Physics, Abha, Saudi Arabia.
Maqbool MF; University of the Punjab, Department of Zoology, Quaid-e-Azam Campus, Lahore, Pakistan.
Al-Sehemi AG; King Khalid University, College of Science, Department of Chemistry, Abha, Saudi Arabia.
Iqbal A; King Khalid University, Research Center for Advanced Material Science - RCAMS, Abha, Saudi Arabia.
Khan M; University of Veterinary and Animal Sciences, Department of Wildlife and Ecology, Lahore, Pakistan.
Ullah S; University of the Punjab, Department of Zoology, Quaid-e-Azam Campus, Lahore, Pakistan.
Khan MT; King Khalid University, College of Science, Department of Chemistry, Abha, Saudi Arabia.

Braz J Biol ; 83: e247604, 2021.

Article em En | MEDLINE | ID: mdl-34495156

Assuntos

COVID-19; Centaurea; Preparações Farmacêuticas; Humanos; Simulação de Acoplamento Molecular; Simulação de Dinâmica Molecular; Inibidores de Proteases; SARS-CoV-2

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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Preparações Farmacêuticas / Centaurea / COVID-19 Idioma: En Revista: Braz J Biol Ano de publicação: 2021 Tipo de documento: Article País de afiliação: Arábia Saudita

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