Molecular modeling study of tectoquinone and acteoside from <i>Tectona grandis</i> linn: a new SARS-CoV-2 main protease inhibitor against COVID-19.

Kallingal, Anoop; Thachan Kundil, Varun; Ayyolath, Aravind; Karlapudi, Abraham Peele; Muringayil Joseph, Tomy; E, Jayadevi Variyar

Molecular modeling study of tectoquinone and acteoside from Tectona grandis linn: a new SARS-CoV-2 main protease inhibitor against COVID-19.

Kallingal, Anoop; Thachan Kundil, Varun; Ayyolath, Aravind; Karlapudi, Abraham Peele; Muringayil Joseph, Tomy; E, Jayadevi Variyar.

Afiliação

Kallingal A; Department of Biotechnology and Microbiology, School of Lifesciences, Kannur University, Kannur, Kerala, India.
Thachan Kundil V; Department of Biotechnology and Microbiology, School of Lifesciences, Kannur University, Kannur, Kerala, India.
Ayyolath A; Department of Biotechnology and Microbiology, School of Lifesciences, Kannur University, Kannur, Kerala, India.
Karlapudi AP; Department of Biotechnology, Vignan's Foundation for Science Technology & Research, Andhra Pradesh, India.
Muringayil Joseph T; Polymers Technology Department, Chemical Faculty, Gdansk University of Technology, Gdansk, Poland.
E JV; Department of Biotechnology and Microbiology, School of Lifesciences, Kannur University, Kannur, Kerala, India.

J Biomol Struct Dyn ; 40(4): 1764-1775, 2022 Mar.

Article em En | MEDLINE | ID: mdl-33036548

Assuntos

COVID-19; Proteases 3C de Coronavírus; Glucosídeos; Humanos; Simulação de Acoplamento Molecular; Simulação de Dinâmica Molecular; Fenóis; Inibidores de Proteases/farmacologia; RNA Viral; SARS-CoV-2

Palavras-chave

Acteoside; COVID-19; Mpro inhibitor; SARS-CoV-2; Tectoquinone; molecular modeling

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: COVID-19 Limite: Humans Idioma: En Ano de publicação: 2022 Tipo de documento: Article

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