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  • SARS-CoV-2 M(pro) inhibitors and activity-based probes for patient-sample imaging #MMPMID33093684
  • Rut W; Groborz K; Zhang L; Sun X; Zmudzinski M; Pawlik B; Wang X; Jochmans D; Neyts J; Mlynarski W; Hilgenfeld R; Drag M
  • Nat Chem Biol 2021[Feb]; 17 (2): 222-228 PMID33093684show ga
  • In December 2019, the first cases of infection with a novel coronavirus, SARS-CoV-2, were diagnosed. Currently, there is no effective antiviral treatment for COVID-19. To address this emerging problem, we focused on the SARS-CoV-2 main protease that constitutes one of the most attractive antiviral drug targets. We have synthesized a combinatorial library of fluorogenic substrates with glutamine in the P1 position. We used it to determine the substrate preferences of the SARS-CoV and SARS-CoV-2 main proteases. On the basis of these findings, we designed and synthesized a potent SARS-CoV-2 inhibitor (Ac-Abu-DTyr-Leu-Gln-VS, half-maximal effective concentration of 3.7 microM) and two activity-based probes, for one of which we determined the crystal structure of its complex with the SARS-CoV-2 M(pro). We visualized active SARS-CoV-2 M(pro) in nasopharyngeal epithelial cells of patients suffering from COVID-19 infection. The results of our work provide a structural framework for the design of inhibitors as antiviral agents and/or diagnostic tests.
  • |Antiviral Agents/*chemistry/pharmacology[MESH]
  • |COVID-19/*diagnostic imaging/pathology/virology[MESH]
  • |Catalytic Domain[MESH]
  • |Combinatorial Chemistry Techniques[MESH]
  • |Coronavirus 3C Proteases/*antagonists & inhibitors/chemistry/genetics/metabolism[MESH]
  • |Crystallography, X-Ray[MESH]
  • |Drug Design[MESH]
  • |Epithelial Cells/ultrastructure/*virology[MESH]
  • |Fluorescent Dyes/chemistry[MESH]
  • |Gene Expression[MESH]
  • |Glutamine/chemistry[MESH]
  • |Humans[MESH]
  • |Models, Molecular[MESH]
  • |Nasopharynx/virology[MESH]
  • |Protease Inhibitors/*chemistry/pharmacology[MESH]
  • |Protein Binding[MESH]
  • |Protein Conformation, alpha-Helical[MESH]
  • |Protein Conformation, beta-Strand[MESH]
  • |Protein Interaction Domains and Motifs[MESH]
  • |SARS Virus/drug effects/enzymology[MESH]
  • |SARS-CoV-2/*drug effects/enzymology[MESH]
  • |Substrate Specificity[MESH]

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  • suck abstract from ncbi

    222 2.17 2021