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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; 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.
Afiliação
  • Gahbauer S; Department of Pharmaceutical Chemistry, University of California San Francisco, San Francisco, CA 94158, USA.
  • Correy GJ; Department of Bioengineering and Therapeutic Sciences, University of California San Francisco, San Francisco, CA 94158, USA.
  • Schuller M; Sir William Dunn School of Pathology, University of Oxford, South Parks Road, Oxford, OX1 3RE, UK.
  • Ferla MP; Wellcome Centre for Human Genetics, University of Oxford, Old Road Campus, 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, USA.
  • Wu T; Department of Pharmaceutical Chemistry, University of California San Francisco, San Francisco, CA 94158, USA.
  • Diolaiti M; Institute for Neurodegenerative Disease, University of California San Francisco, San Francisco, CA 94158, USA.
  • Wang S; Chemistry and Chemical Biology Graduate Program, University of California San Francisco, San Francisco, CA 94158, USA.
  • Neitz RJ; Helen Diller Family Comprehensive Cancer Center, University of California San Francisco, San Francisco, CA 94158, USA.
  • Fearon D; Chemistry and Chemical Biology Graduate Program, University of California San Francisco, San Francisco, CA 94158, USA.
  • Radchenko D; Department of Pharmaceutical Chemistry and Small Molecule Discovery Center, University of California, San Francisco, California 94158, USA.
  • Moroz Y; 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., Chervonotkatska Street 78, Kyiv 02094, Ukraine.
  • Taylor JC; Taras Shevchenko National University of Kyiv, Volodymyrska Street 60, Kyiv, 01601, Ukraine.
  • Gestwicki JE; Taras Shevchenko National University of Kyiv, Volodymyrska Street 60, Kyiv, 01601, Ukraine.
  • von Delft F; Chemspace, Chervonotkatska Street 78, Kyiv, 02094, Ukraine.
  • Ashworth A; Department of Pharmaceutical Chemistry, University of California San Francisco, San Francisco, CA 94158, USA.
  • Ahel I; Helen Diller Family Comprehensive Cancer Center, University of California San Francisco, San Francisco, CA 94158, USA.
  • Shoichet BK; Department of Pharmaceutical Chemistry and Small Molecule Discovery Center, University of California, San Francisco, California 94158, USA.
  • Fraser JS; Wellcome Centre for Human Genetics, University of Oxford, Old Road Campus, Oxford OX3 7BN, UK.
bioRxiv ; 2022 Jul 28.
Article em En | MEDLINE | ID: mdl-35794891
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: BioRxiv Ano de publicação: 2022 Tipo de documento: Article País de afiliação: Estados Unidos País de publicação: Estados Unidos
Texto completo
Adicionar na Minha BVS
Imprimir
XML
PubMed Links
Buscar no Google

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: BioRxiv Ano de publicação: 2022 Tipo de documento: Article País de afiliação: Estados Unidos País de publicação: Estados Unidos