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10.1126/science.abb3405

http://scihub22266oqcxt.onion/10.1126/science.abb3405
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32198291!7164518!32198291
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suck abstract from ncbi


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pmid32198291      Science 2020 ; 368 (6489): 409-412
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  • Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved alpha-ketoamide inhibitors #MMPMID32198291
  • Zhang L; Lin D; Sun X; Curth U; Drosten C; Sauerhering L; Becker S; Rox K; Hilgenfeld R
  • Science 2020[Apr]; 368 (6489): 409-412 PMID32198291show ga
  • The coronavirus disease 2019 (COVID-19) pandemic caused by severe acute respiratory syndrome-coronavirus 2 (SARS-CoV-2) is a global health emergency. An attractive drug target among coronaviruses is the main protease (M(pro), also called 3CL(pro)) because of its essential role in processing the polyproteins that are translated from the viral RNA. We report the x-ray structures of the unliganded SARS-CoV-2 M(pro) and its complex with an alpha-ketoamide inhibitor. This was derived from a previously designed inhibitor but with the P3-P2 amide bond incorporated into a pyridone ring to enhance the half-life of the compound in plasma. On the basis of the unliganded structure, we developed the lead compound into a potent inhibitor of the SARS-CoV-2 M(pro) The pharmacokinetic characterization of the optimized inhibitor reveals a pronounced lung tropism and suitability for administration by the inhalative route.
  • |Amides/*chemistry/metabolism/*pharmacology[MESH]
  • |Animals[MESH]
  • |Antiviral Agents/chemistry/metabolism/pharmacokinetics/pharmacology[MESH]
  • |Betacoronavirus/*drug effects/*enzymology[MESH]
  • |Binding Sites[MESH]
  • |Cell Line, Tumor[MESH]
  • |Coronavirus 3C Proteases[MESH]
  • |Crystallography, X-Ray[MESH]
  • |Cysteine Endopeptidases/*chemistry/metabolism[MESH]
  • |Drug Design[MESH]
  • |Half-Life[MESH]
  • |Humans[MESH]
  • |Lung/metabolism[MESH]
  • |Mice[MESH]
  • |Models, Molecular[MESH]
  • |Protease Inhibitors/*chemistry/metabolism/pharmacokinetics/*pharmacology[MESH]
  • |Protein Domains[MESH]
  • |Protein Multimerization[MESH]
  • |Pyridones/chemistry[MESH]
  • |SARS-CoV-2[MESH]
  • |Viral Nonstructural Proteins/*chemistry/metabolism[MESH]


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