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Discovery of novel SARS-CoV-2 3CL protease covalent inhibitors using deep learning-based screen
SARS-CoV-2 3CL protease is one of the key targets for drug development against COVID-19. Most known SARS-CoV-2 3CL protease inhibitors act by covalently binding to the active site cysteine. Yet, computational screens against this enzyme were mainly focused on non-covalent inhibitor discovery. Here,...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Elsevier Masson SAS.
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9528019/ https://www.ncbi.nlm.nih.gov/pubmed/36209629 http://dx.doi.org/10.1016/j.ejmech.2022.114803 |