Journal Article

PUBDB-2023-00887

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Repurposing the HCV NS3-4A protease drug boceprevir as COVID-19 therapeutics.

Oerlemans, R.Extern* ; Ruiz-Moreno, A. J. ; Cong, Y.Extern*EMBL* ; Dinesh Kumar, N. ; Velasco-Velazquez, M. A. ; Neochoritis, C. G. ; Smith, J. ; Reggiori, F. ; Groves, M. R.Extern* ; Dömling, A. (Corresponding author)

2020
Royal Society of Chemistry Cambridge

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Please use a persistent id in citations: doi:10.1039/D0MD00367K  doi:10.3204/PUBDB-2023-00887

Abstract: The 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.

Note: ISSN 2632-8682 not unique: **2 hits**.

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Contributing Institute(s):

1. DOOR-User (DOOR ; HAS-User)

Research Program(s):

1. 6G3 - PETRA III (DESY) (POF4-6G3) (POF4-6G3)

Experiment(s):

1. PETRA Beamline P11 (PETRA III)

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Database coverage:
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