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Tomatidine and Patchouli Alcohol as Inhibitors of SARS-CoV-2 Enzymes (3CLpro, PLpro and NSP15) by Molecular Docking and Molecular Dynamics Simulations.
Zrieq, Rafat; Ahmad, Iqrar; Snoussi, Mejdi; Noumi, Emira; Iriti, Marcello; Algahtani, Fahad D; Patel, Harun; Saeed, Mohd; Tasleem, Munazzah; Sulaiman, Shadi; Aouadi, Kaïss; Kadri, Adel.
Afiliação
  • Zrieq R; Department of Public Health, College of Public Health and Health Informatics, University of Ha'il, Ha'il 81451, Saudi Arabia.
  • Ahmad I; Division of Computer Aided Drug Design, Department of Pharmaceutical Chemistry, R. C. Patel Institute of Pharmaceutical Education and Research, Shirpur, Maharashtra 425405, India.
  • Snoussi M; Department of Biology, College of Science, University of Ha'il City, P.O. 2440, Ha'il 2440, Saudi Arabia.
  • Noumi E; Laboratory of Genetics, Biodiversity and Valorization of Bio-Resources (LR11ES41), University of Monastir, Higher Institute of Biotechnology of Monastir, Avenue Tahar Haddad, BP74, Monastir 5000, Tunisia.
  • Iriti M; Department of Biology, College of Science, University of Ha'il City, P.O. 2440, Ha'il 2440, Saudi Arabia.
  • Algahtani FD; Laboratory of Bioresources: Integrative Biology and Valorization, (LR14-ES06), University of Monastir, Higher Institute of Biotechnology of Monastir, Avenue Tahar Haddad, BP74, Monastir 5000, Tunisia.
  • Patel H; Department of Agricultural and Environmental Sciences, Università degli Studi di Milano, 20133 Milano, Italy.
  • Saeed M; Phytochem Lab., Department of Agricultural and Environmental Sciences, Università degli Studi di Milano, 20133 Milano, Italy.
  • Tasleem M; National Interuniversity Consortium of Materials Science and Technology (INSTM), 50121 Firenze, Italy.
  • Sulaiman S; BAT Center-Interuniversity Center for Studies on Bioispired Agro-Environmental Technology, University of Napoli "Federico II", Portici, 80055 Napoli, Italy.
  • Aouadi K; Department of Public Health, College of Public Health and Health Informatics, University of Ha'il, Ha'il 81451, Saudi Arabia.
  • Kadri A; Molecular Diagnostic and Personalized Therapeutics Unit, University of Ha'il, Ha'il 81451, Saudi Arabia.
Int J Mol Sci ; 22(19)2021 Oct 02.
Article em En | MEDLINE | ID: mdl-34639036
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Sesquiterpenos / Tomatina / Proteínas não Estruturais Virais / Endorribonucleases / Proteases 3C de Coronavírus / Proteases Semelhantes à Papaína de Coronavírus / SARS-CoV-2 Limite: Humans Idioma: En Revista: Int J Mol Sci Ano de publicação: 2021 Tipo de documento: Article País de afiliação: Arábia Saudita
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Sesquiterpenos / Tomatina / Proteínas não Estruturais Virais / Endorribonucleases / Proteases 3C de Coronavírus / Proteases Semelhantes à Papaína de Coronavírus / SARS-CoV-2 Limite: Humans Idioma: En Revista: Int J Mol Sci Ano de publicação: 2021 Tipo de documento: Article País de afiliação: Arábia Saudita