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Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
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 S; Moroz, Yurii S; 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.
Affiliation
  • Gahbauer S; Department of Pharmaceutical Chemistry, University of California San Francisco, San Francisco, CA 94158.
  • Correy GJ; Department of Bioengineering and Therapeutic Sciences, University of California San Francisco, San Francisco, CA 94158.
  • Schuller M; Sir William Dunn School of Pathology, University of Oxford, Oxford OX1 3RE, UK.
  • Ferla MP; Wellcome Centre for Human Genetics, University of Oxford, Oxford OX3 7BN, UK.
  • Doruk YU; National Institute for Health Research Oxford Biomedical Research Centre, Oxford OX4 2PG, UK.
  • Rachman M; Helen Diller Family Comprehensive Cancer Center, University of California San Francisco, San Francisco, CA 94158.
  • Wu T; Department of Pharmaceutical Chemistry, University of California San Francisco, San Francisco, CA 94158.
  • Diolaiti M; Institute for Neurodegenerative Disease, University of California San Francisco, San Francisco, CA 94158.
  • Wang S; Chemistry and Chemical Biology Graduate Program, University of California San Francisco, San Francisco, CA 94158.
  • Neitz RJ; Helen Diller Family Comprehensive Cancer Center, University of California San Francisco, San Francisco, CA 94158.
  • Fearon D; Chemistry and Chemical Biology Graduate Program, University of California San Francisco, San Francisco, CA 94158.
  • Radchenko DS; Department of Pharmaceutical Chemistry and Small Molecule Discovery Center, University of California, San Francisco, CA 94158.
  • Moroz YS; Diamond Light Source Ltd., Harwell Science and Innovation Campus, Didcot OX11 0DE, UK.
  • Irwin JJ; Research Complex at Harwell Harwell Science and Innovation Campus, Didcot OX11 0FA, UK.
  • Renslo AR; Enamine Ltd., Kyiv 02094, Ukraine.
  • Taylor JC; Taras Shevchenko National University of Kyiv, Kyiv 01601, Ukraine.
  • Gestwicki JE; Taras Shevchenko National University of Kyiv, Kyiv 01601, Ukraine.
  • von Delft F; Chemspace, Kyiv 02094, Ukraine.
  • Ashworth A; Department of Pharmaceutical Chemistry, University of California San Francisco, San Francisco, CA 94158.
  • Ahel I; Helen Diller Family Comprehensive Cancer Center, University of California San Francisco, San Francisco, CA 94158.
  • Shoichet BK; Department of Pharmaceutical Chemistry and Small Molecule Discovery Center, University of California, San Francisco, CA 94158.
  • Fraser JS; Wellcome Centre for Human Genetics, University of Oxford, Oxford OX3 7BN, UK.
Proc Natl Acad Sci U S A ; 120(2): e2212931120, 2023 01 10.
Article de En | MEDLINE | ID: mdl-36598939
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Texte intégral: 1 Collection: 01-internacional Base de données: MEDLINE Sujet principal: SARS-CoV-2 / COVID-19 Type d'étude: Diagnostic_studies / Screening_studies Limites: Humans Langue: En Journal: Proc Natl Acad Sci U S A Année: 2023 Type de document: Article
Texte intégral
Ajouter à My VHL
Imprimer
XML
PubMed Links
Recherche sur Google

Texte intégral: 1 Collection: 01-internacional Base de données: MEDLINE Sujet principal: SARS-CoV-2 / COVID-19 Type d'étude: Diagnostic_studies / Screening_studies Limites: Humans Langue: En Journal: Proc Natl Acad Sci U S A Année: 2023 Type de document: Article