Structural basis of SARS-CoV-2 3CLpro and anti-COVID-19 drug discovery from medicinal plants

Registro completo de metadados
MetadadosDescriçãoIdioma
Autor(es): dc.creatorQamar, Muhammad Tahirul-
Autor(es): dc.creatorAlqahtani, Safar M.-
Autor(es): dc.creatorAlamri, Mubarak A.-
Autor(es): dc.creatorChen, Ling-Ling-
Data de aceite: dc.date.accessioned2026-02-09T12:15:42Z-
Data de disponibilização: dc.date.available2026-02-09T12:15:42Z-
Data de envio: dc.date.issued2020-03-27-
Data de envio: dc.date.issued2020-03-27-
Data de envio: dc.date.issued2020-03-
Fonte completa do material: dc.identifierhttps://repositorio.ufla.br/handle/1/39509-
Fonte completa do material: dc.identifierhttps://www.sciencedirect.com/science/article/pii/S2095177920301271-
Fonte: dc.identifier.urihttp://educapes.capes.gov.br/handle/capes/1157752-
Descrição: dc.descriptionThe recent outbreak of coronavirus disease 2019 (COVID-19) caused by SARS-CoV-2 in December 2019 raised global health concerns. The viral 3-chymotrypsin-like cysteine protease (3CLpro) enzyme controls coronavirus replication and is essential for its life cycle. 3CLpro is a proven drug discovery target in the case of severe acute respiratory syndrome coronavirus (SARS-CoV) and middle east respiratory syndrome coronavirus (MERS-CoV). Recent studies revealed that the genome sequence of SARS-CoV-2 is very similar to that of SARS-CoV. Therefore, herein, we analysed the 3CLpro sequence, constructed its 3D homology model, and screened it against a medicinal plant library containing 32,297 potential anti-viral phytochemicals/traditional Chinese medicinal compounds. Our analyses revealed that the top nine hits might serve as potential anti- SARS-CoV-2 lead molecules for further optimisation and drug development process to combat COVID-19.-
Idioma: dc.languageen-
Publicador: dc.publisherElsevier-
Direitos: dc.rightsrestrictAccess-
???dc.source???: dc.sourceJournal of Pharmaceutical Analysis-
Palavras-chave: dc.subjectCoronavirus-
Palavras-chave: dc.subjectSevere Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2)-
Palavras-chave: dc.subjectCOVID-19-
Palavras-chave: dc.subjectNatural products-
Palavras-chave: dc.subjectProtein homology modelling-
Palavras-chave: dc.subjectMolecular docking-
Palavras-chave: dc.subjectMolecular dynamics simulation-
Título: dc.titleStructural basis of SARS-CoV-2 3CLpro and anti-COVID-19 drug discovery from medicinal plants-
Tipo de arquivo: dc.typeArtigo-
Aparece nas coleções:Repositório Institucional da Universidade Federal de Lavras (RIUFLA)

Não existem arquivos associados a este item.