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3CL(pro) and PL(pro) affinity, a docking study to fight COVID19 based on 900 compounds from PubChem and literature. Are there new drugs to be found?

The spread of a novel coronavirus SARS-CoV-2 and a resulting COVID19 disease in late 2019 has transformed into a worldwide pandemic and has effectively brought the world to a halt. Proteases 3CL(pro) and PL(pro), responsible for proteolysis of new virions, represent vital inhibition targets for the...

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Detalles Bibliográficos
Autores principales: Štekláč, Marek, Zajaček, Dávid, Bučinský, Lukáš
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier B.V. 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8238401/
https://www.ncbi.nlm.nih.gov/pubmed/34219808
http://dx.doi.org/10.1016/j.molstruc.2021.130968