Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 Macrodomain of SARS-CoV-2

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The nonstructural protein 3 (NSP3) of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) contains a conserved macrodomain enzyme (Mac1) that is critical for pathogenesis and lethality. While small molecule inhibitors of Mac1 have great therapeutic potential, at the outset of the COVID-...

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Detalles Bibliográficos
Autores principales: Gahbauer, Stefan, Correy, Galen J., Schuller, Marion, Ferla, Matteo P., Doruk, Yagmur Umay, Rachman, Moira, Wu, Taiasean, Diolaiti, Morgan, Wang, Siyi, Neitz, R. Jeffrey, Fearon, Daren, Radchenko, Dmytro, Moroz, Yurii, Irwin, John J., Renslo, Adam R., Taylor, Jenny C., Gestwicki, Jason E., von Delft, Frank, Ashworth, Alan, Ahel, Ivan, Shoichet, Brian K., Fraser, James S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Cold Spring Harbor Laboratory 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9258288/
https://www.ncbi.nlm.nih.gov/pubmed/35794891
http://dx.doi.org/10.1101/2022.06.27.497816
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