Bioprospecting phytochemicals of Rosmarinus officinalis L. for targeting SARS-CoV-2 main protease (M<sup>pro</sup>): a computational study.

Patel, Unnati; Desai, Krishna; Dabhi, Ranjitsinh C; Maru, Jayesh J; Shrivastav, Pranav S

Bioprospecting phytochemicals of Rosmarinus officinalis L. for targeting SARS-CoV-2 main protease (M^pro): a computational study.

Patel, Unnati; Desai, Krishna; Dabhi, Ranjitsinh C; Maru, Jayesh J; Shrivastav, Pranav S.

Afiliação

Patel U; Department of Chemistry, University School of Sciences, Gujarat University, Ahmedabad, 380009, India.
Desai K; Department of Botany, Bioinformatics and Climate Change Impacts Management, University School of Sciences, Gujarat University, Ahmedabad, 380009, India.
Dabhi RC; Department of Chemistry, University School of Sciences, Gujarat University, Ahmedabad, 380009, India.
Maru JJ; Department of Chemistry, University School of Sciences, Gujarat University, Ahmedabad, 380009, India.
Shrivastav PS; Department of Chemistry, University School of Sciences, Gujarat University, Ahmedabad, 380009, India. pranavs@gujaratuniversity.ac.in.

J Mol Model ; 29(5): 161, 2023 Apr 28.

Article em En | MEDLINE | ID: mdl-37115321

Assuntos

COVID-19; Rosmarinus; Bioprospecção; Simulação de Acoplamento Molecular; SARS-CoV-2; Antivirais/farmacologia; Simulação de Dinâmica Molecular; Inibidores de Proteases/farmacologia

Palavras-chave

ADMET; Drug-likeness study; Molecular docking; Molecular dynamics; Rosmarinus officinalis L.; SARS-CoV-2 Mpro

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Prognostic_studies Idioma: En Ano de publicação: 2023 Tipo de documento: Article

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Prognostic_studies Idioma: En Ano de publicação: 2023 Tipo de documento: Article