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Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors.
Iketani, Sho; Forouhar, Farhad; Liu, Hengrui; Hong, Seo Jung; Lin, Fang-Yu; Nair, Manoj S; Zask, Arie; Huang, Yaoxing; Xing, Li; Stockwell, Brent R; Chavez, Alejandro; Ho, David D.
  • Iketani S; Aaron Diamond AIDS Research Center, Columbia University Irving Medical Center, New York, NY, USA.
  • Forouhar F; Department of Microbiology and Immunology, Columbia University Irving Medical Center, New York, NY, USA.
  • Liu H; Herbert Irving Comprehensive Cancer Center, Columbia University Irving Medical Center, New York, NY, USA.
  • Hong SJ; Department of Chemistry, Columbia University, New York, NY, USA.
  • Lin FY; Department of Pathology and Cell Biology, Columbia University Irving Medical Center, New York, NY, USA.
  • Nair MS; WuXi AppTec, Cambridge, MA, USA.
  • Zask A; Aaron Diamond AIDS Research Center, Columbia University Irving Medical Center, New York, NY, USA.
  • Huang Y; Department of Biological Sciences, Columbia University, New York, NY, USA.
  • Xing L; Aaron Diamond AIDS Research Center, Columbia University Irving Medical Center, New York, NY, USA.
  • Stockwell BR; WuXi AppTec, Cambridge, MA, USA.
  • Chavez A; Department of Chemistry, Columbia University, New York, NY, USA. bstockwell@columbia.edu.
  • Ho DD; Department of Biological Sciences, Columbia University, New York, NY, USA. bstockwell@columbia.edu.
Nat Commun ; 12(1): 2016, 2021 04 01.
Article in English | MEDLINE | ID: covidwho-1164851
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ABSTRACT
We report the identification of three structurally diverse compounds - compound 4, GC376, and MAC-5576 - as inhibitors of the SARS-CoV-2 3CL protease. Structures of each of these compounds in complex with the protease revealed strategies for further development, as well as general principles for designing SARS-CoV-2 3CL protease inhibitors. These compounds may therefore serve as leads for the basis of building effective SARS-CoV-2 3CL protease inhibitors.
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Full text: Available Collection: International databases Database: MEDLINE Main subject: Virus Replication / Coronavirus 3C Proteases / SARS-CoV-2 / COVID-19 Drug Treatment Type of study: Prognostic study Topics: Traditional medicine Limits: Humans Language: English Journal: Nat Commun Journal subject: Biology / Science Year: 2021 Document Type: Article Affiliation country: S41467-021-22362-2

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Full text: Available Collection: International databases Database: MEDLINE Main subject: Virus Replication / Coronavirus 3C Proteases / SARS-CoV-2 / COVID-19 Drug Treatment Type of study: Prognostic study Topics: Traditional medicine Limits: Humans Language: English Journal: Nat Commun Journal subject: Biology / Science Year: 2021 Document Type: Article Affiliation country: S41467-021-22362-2