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An automatic pipeline for the design of irreversible derivatives identifies a potent SARS-CoV-2 Mpro inhibitor.
Zaidman, Daniel; Gehrtz, Paul; Filep, Mihajlo; Fearon, Daren; Gabizon, Ronen; Douangamath, Alice; Prilusky, Jaime; Duberstein, Shirly; Cohen, Galit; Owen, C David; Resnick, Efrat; Strain-Damerell, Claire; Lukacik, Petra; Barr, Haim; Walsh, Martin A; von Delft, Frank; London, Nir.
Afiliação
  • Zaidman D; Department of Chemical and Structural Biology, Weizmann Institute of Science, 7610001 Rehovot, Israel.
  • Gehrtz P; Department of Chemical and Structural Biology, Weizmann Institute of Science, 7610001 Rehovot, Israel.
  • Filep M; Department of Chemical and Structural Biology, Weizmann Institute of Science, 7610001 Rehovot, Israel.
  • Fearon D; Diamond Light Source Ltd., Harwell Science and Innovation Campus, Didcot OX11 0QX, UK.
  • Gabizon R; Department of Chemical and Structural Biology, Weizmann Institute of Science, 7610001 Rehovot, Israel.
  • Douangamath A; Diamond Light Source Ltd., Harwell Science and Innovation Campus, Didcot OX11 0QX, UK.
  • Prilusky J; Life Sciences Core Facilities, Weizmann Institute of Science, 7610001 Rehovot, Israel.
  • Duberstein S; Wohl Institute for Drug Discovery of the Nancy and Stephen Grand Israel National Center for Personalized Medicine, The Weizmann Institute of Science, 7610001 Rehovot, Israel.
  • Cohen G; Wohl Institute for Drug Discovery of the Nancy and Stephen Grand Israel National Center for Personalized Medicine, The Weizmann Institute of Science, 7610001 Rehovot, Israel.
  • Owen CD; Diamond Light Source Ltd., Harwell Science and Innovation Campus, Didcot OX11 0QX, UK; Research Complex at Harwell, Harwell Science and Innovation Campus, Didcot OX11 0FA, UK.
  • Resnick E; Department of Chemical and Structural Biology, Weizmann Institute of Science, 7610001 Rehovot, Israel.
  • Strain-Damerell C; Diamond Light Source Ltd., Harwell Science and Innovation Campus, Didcot OX11 0QX, UK; Research Complex at Harwell, Harwell Science and Innovation Campus, Didcot OX11 0FA, UK.
  • Lukacik P; Diamond Light Source Ltd., Harwell Science and Innovation Campus, Didcot OX11 0QX, UK; Research Complex at Harwell, Harwell Science and Innovation Campus, Didcot OX11 0FA, UK.
  • Barr H; Wohl Institute for Drug Discovery of the Nancy and Stephen Grand Israel National Center for Personalized Medicine, The Weizmann Institute of Science, 7610001 Rehovot, Israel.
  • Walsh MA; Diamond Light Source Ltd., Harwell Science and Innovation Campus, Didcot OX11 0QX, UK; Research Complex at Harwell, Harwell Science and Innovation Campus, Didcot OX11 0FA, UK.
  • von Delft F; Diamond Light Source Ltd., Harwell Science and Innovation Campus, Didcot OX11 0QX, UK; Research Complex at Harwell, Harwell Science and Innovation Campus, Didcot OX11 0FA, UK; Structural Genomics Consortium, University of Oxford, Old Road Campus, Roosevelt Drive, Headington OX3 7DQ, UK; Department o
  • London N; Department of Chemical and Structural Biology, Weizmann Institute of Science, 7610001 Rehovot, Israel. Electronic address: nir.london@weizmann.ac.il.
Cell Chem Biol ; 28(12): 1795-1806.e5, 2021 12 16.
Article em En | MEDLINE | ID: mdl-34174194
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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Desenho de Fármacos / Proteínas da Matriz Viral / Inibidores de Proteínas Quinases / SARS-CoV-2 Tipo de estudo: Prognostic_studies Limite: Humans Idioma: En Ano de publicação: 2021 Tipo de documento: Article
Texto completo
Imprimir
XML
PubMed Links
Buscar no Google

Texto completo: 1 Base de dados: MEDLINE Assunto principal: Desenho de Fármacos / Proteínas da Matriz Viral / Inibidores de Proteínas Quinases / SARS-CoV-2 Tipo de estudo: Prognostic_studies Limite: Humans Idioma: En Ano de publicação: 2021 Tipo de documento: Article