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Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses.
Luttens, Andreas; Gullberg, Hjalmar; Abdurakhmanov, Eldar; Vo, Duy Duc; Akaberi, Dario; Talibov, Vladimir O; Nekhotiaeva, Natalia; Vangeel, Laura; De Jonghe, Steven; Jochmans, Dirk; Krambrich, Janina; Tas, Ali; Lundgren, Bo; Gravenfors, Ylva; Craig, Alexander J; Atilaw, Yoseph; Sandström, Anja; Moodie, Lindon W K; Lundkvist, Åke; van Hemert, Martijn J; Neyts, Johan; Lennerstrand, Johan; Kihlberg, Jan; Sandberg, Kristian; Danielson, U Helena; Carlsson, Jens.
Afiliación
  • Luttens A; Science for Life Laboratory, Department of Cell and Molecular Biology, Uppsala University, SE-75124 Uppsala, Sweden.
  • Gullberg H; Science for Life Laboratory, Biochemical and Cellular Assay Facility, Drug Discovery and Development Platform, Department of Biochemistry and Biophysics, Stockholm University, Solna, SE-17121 Stockholm, Sweden.
  • Abdurakhmanov E; Science for Life Laboratory, Department of Chemistry-BMC, Uppsala University, SE-75123 Uppsala, Sweden.
  • Vo DD; Science for Life Laboratory, Department of Cell and Molecular Biology, Uppsala University, SE-75124 Uppsala, Sweden.
  • Akaberi D; Department of Medical Biochemistry and Microbiology, Zoonosis Science Center, Uppsala University, SE-75123 Uppsala, Sweden.
  • Talibov VO; BioMax beamline, MAX IV Laboratory, Fotongatan 2, SE-22484 Lund, Sweden.
  • Nekhotiaeva N; Science for Life Laboratory, Biochemical and Cellular Assay Facility, Drug Discovery and Development Platform, Department of Biochemistry and Biophysics, Stockholm University, Solna, SE-17121 Stockholm, Sweden.
  • Vangeel L; KU Leuven, Department of Microbiology, Immunology and Transplantation, Rega Institute, Laboratory of Virology and Chemotherapy, 3000 Leuven, Belgium.
  • De Jonghe S; Global Virus Network, Baltimore, Maryland 21201, United States.
  • Jochmans D; KU Leuven, Department of Microbiology, Immunology and Transplantation, Rega Institute, Laboratory of Virology and Chemotherapy, 3000 Leuven, Belgium.
  • Krambrich J; Global Virus Network, Baltimore, Maryland 21201, United States.
  • Tas A; KU Leuven, Department of Microbiology, Immunology and Transplantation, Rega Institute, Laboratory of Virology and Chemotherapy, 3000 Leuven, Belgium.
  • Lundgren B; Global Virus Network, Baltimore, Maryland 21201, United States.
  • Gravenfors Y; Department of Medical Biochemistry and Microbiology, Zoonosis Science Center, Uppsala University, SE-75123 Uppsala, Sweden.
  • Craig AJ; Department of Medical Microbiology, Leiden University Medical Center, 2333ZA Leiden, The Netherlands.
  • Atilaw Y; Science for Life Laboratory, Biochemical and Cellular Assay Facility, Drug Discovery and Development Platform, Department of Biochemistry and Biophysics, Stockholm University, Solna, SE-17121 Stockholm, Sweden.
  • Sandström A; Science for Life Laboratory, Drug Discovery & Development Platform, Department of Organic Chemistry, Stockholm University, Solna, SE-17121 Stockholm, Sweden.
  • Moodie LWK; Department of Medicinal Chemistry, Uppsala University, SE-75123 Uppsala, Sweden.
  • Lundkvist Å; Department of Chemistry-BMC, Uppsala University, SE-75123 Uppsala, Sweden.
  • van Hemert MJ; Department of Medicinal Chemistry, Uppsala University, SE-75123 Uppsala, Sweden.
  • Neyts J; Department of Medicinal Chemistry, Uppsala University, SE-75123 Uppsala, Sweden.
  • Lennerstrand J; Uppsala Antibiotic Centre, Uppsala University, SE-75123 Uppsala, Sweden.
  • Kihlberg J; Department of Medical Biochemistry and Microbiology, Zoonosis Science Center, Uppsala University, SE-75123 Uppsala, Sweden.
  • Sandberg K; Department of Medical Microbiology, Leiden University Medical Center, 2333ZA Leiden, The Netherlands.
  • Danielson UH; KU Leuven, Department of Microbiology, Immunology and Transplantation, Rega Institute, Laboratory of Virology and Chemotherapy, 3000 Leuven, Belgium.
  • Carlsson J; Global Virus Network, Baltimore, Maryland 21201, United States.
J Am Chem Soc ; 144(7): 2905-2920, 2022 02 23.
Article en En | MEDLINE | ID: mdl-35142215
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Texto completo: 1 Bases de datos: MEDLINE Asunto principal: Antivirales / Inhibidores de Cisteína Proteinasa / Bibliotecas de Moléculas Pequeñas / Proteasas 3C de Coronavirus / SARS-CoV-2 Tipo de estudio: Diagnostic_studies / Screening_studies Idioma: En Revista: J Am Chem Soc Año: 2022 Tipo del documento: Article País de afiliación: Suecia
Texto completo
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Texto completo: 1 Bases de datos: MEDLINE Asunto principal: Antivirales / Inhibidores de Cisteína Proteinasa / Bibliotecas de Moléculas Pequeñas / Proteasas 3C de Coronavirus / SARS-CoV-2 Tipo de estudio: Diagnostic_studies / Screening_studies Idioma: En Revista: J Am Chem Soc Año: 2022 Tipo del documento: Article País de afiliación: Suecia