NMR Spectroscopy of the Main Protease of SARS-CoV-2 and Fragment-Based Screening Identify Three Protein Hotspots and an Antiviral Fragment.

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作者： François-Xavier,Cantrelle ^[1] ; Emmanuelle,Boll ^[2] ; Lucile,Brier ^[1] ; Danai,Moschidi ^[2] ; Sandrine,Belouzard ^[3] ; Valérie,Landry ^[4] ; Florence,Leroux ^[1] ; Frédérique,Dewitte ^[2] ; Isabelle,Landrieu ^[5] ; Jean,Dubuisson ^[3] ; Benoit,Deprez ^[4] ; Julie,Charton ^[3] ; Xavier,Hanoulle ^[4]

作者单位： CNRS ERL9002-BSI-Integrative Structural Biology, 50 avenue Halley, F-59658 Villeneuve d'Ascq, Lille, France. ^[1] Univ. Lille, INSERM, CHU Lille, Institut Pasteur de Lille, U1167-RID-AGE-Risk Factors and Molecular Determinants of Aging-Related Diseases, 1 rue du Professeur Calmette, F-59019, Lille, France. ^[2] Univ. Lille, INSERM, Institut Pasteur de Lille, U1177-Drugs and Molecules for Living Systems, F-59000, Lille, France. ^[3] European Genomic Institute for Diabetes, EGID, University of Lille, 3 rue du Professeur Laguesse, F-59006, Lille, France. ^[4] Univ. Lille, CNRS, INSERM, CHU Lille, Institut Pasteur de Lille, U1019-UMR 9017-CIIL-Center for Infection and Immunity of Lille, 1 rue du Professeur Calmette, F-59019, Lille, France. ^[5]

关键词 NMR spectroscopy drug discovery fragment screening protein structure viruses