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000576716 0247_ $$2ISSN$$a2040-2503
000576716 0247_ $$2ISSN$$a2040-2511
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000576716 0247_ $$2datacite_doi$$a10.3204/PUBDB-2023-00887
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000576716 1001_ $$0P:(DE-H253)PIP1029647$$aOerlemans, Rick$$b0
000576716 245__ $$aRepurposing the HCV NS3-4A protease drug boceprevir as COVID-19 therapeutics.
000576716 260__ $$aCambridge$$bRoyal Society of Chemistry$$c2020
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000576716 520__ $$aThe rapid growth of COVID-19 cases is causing an increasing death toll and also paralyzing the world economy. De novo drug discovery takes years to move from idea and/or pre-clinic to market, and it is not a short-term solution for the current SARS-CoV-2 pandemic. Drug repurposing is perhaps the only short-term solution, while vaccination is a middle-term solution. Here, we describe the discovery path of the HCV NS3-4A protease inhibitors boceprevir and telaprevir as SARS-CoV-2 main protease (3CLpro) inhibitors. Based on our hypothesis that α-ketoamide drugs can covalently bind to the active site cysteine of the SARS-CoV-2 3CLpro, we performed docking studies, enzyme inhibition and co-crystal structure analyses and finally established that boceprevir, but not telaprevir, inhibits replication of SARS-CoV-2 and mouse hepatitis virus (MHV), another coronavirus, in cell culture. Based on our studies, the HCV drug boceprevir deserves further attention as a repurposed drug for COVID-19 and potentially other coronaviral infections as well.
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000576716 7001_ $$00000-0002-2798-5386$$aRuiz-Moreno, Angel Jonathan$$b1
000576716 7001_ $$0P:(DE-H253)PIP1101992$$aCong, Yingying$$b2
000576716 7001_ $$aDinesh Kumar, Nilima$$b3
000576716 7001_ $$aVelasco-Velazquez, Marco A$$b4
000576716 7001_ $$00000-0001-5098-5504$$aNeochoritis, Constantinos G$$b5
000576716 7001_ $$aSmith, Jolanda$$b6
000576716 7001_ $$aReggiori, Fulvio$$b7
000576716 7001_ $$0P:(DE-H253)PIP1003552$$aGroves, Matthew R$$b8
000576716 7001_ $$00000-0002-9923-8873$$aDömling, Alexander$$b9$$eCorresponding author
000576716 773__ $$0PERI:(DE-600)3005515-5$$a10.1039/D0MD00367K$$gVol. 12, no. 3, p. 370 - 379$$n3$$p370 - 379$$tRSC medicinal chemistry$$v12$$x2040-2503$$y2020
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