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Reactivity and binding mode of disulfiram, its metabolites, and derivatives in SARS-CoV-2 PL(pro): insights from computational chemistry studies

The papain-like protease (PL(pro)) from SARS-CoV-2 is an important target for the development of antivirals against COVID-19. The safe drug disulfiram (DSF) presents antiviral activity inhibiting PL(pro) in vitro, and it is under clinical trial studies, indicating to be a promising anti-COVID-19 dru...

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Detalles Bibliográficos
Autores principales: Nogara, Pablo Andrei, Omage, Folorunsho Bright, Bolzan, Gustavo Roni, Delgado, Cássia Pereira, Orian, Laura, Rocha, João Batista Teixeira
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer Berlin Heidelberg 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9554863/
https://www.ncbi.nlm.nih.gov/pubmed/36222962
http://dx.doi.org/10.1007/s00894-022-05341-2