Evaluation of Xa inhibitors as potential inhibitors of the SARS-CoV-2 Mpro protease

Based on previous large-scale in silico screening several factor Xa inhibitors were proposed to potentially inhibit SARS-CoV-2 M(pro). In addition to their known anticoagulants activity this potential inhibition could have an additional therapeutic effect on patients with COVID-19 disease. In this s...

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Autores principales: Papaj, Katarzyna, Spychalska, Patrycja, Kapica, Patryk, Fischer, André, Nowak, Jakub, Bzówka, Maria, Sellner, Manuel, Lill, Markus A., Smieško, Martin, Góra, Artur
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Public Library of Science 2022
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8752003/
https://www.ncbi.nlm.nih.gov/pubmed/35015795
http://dx.doi.org/10.1371/journal.pone.0262482
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author Papaj, Katarzyna
Spychalska, Patrycja
Kapica, Patryk
Fischer, André
Nowak, Jakub
Bzówka, Maria
Sellner, Manuel
Lill, Markus A.
Smieško, Martin
Góra, Artur
author_facet Papaj, Katarzyna
Spychalska, Patrycja
Kapica, Patryk
Fischer, André
Nowak, Jakub
Bzówka, Maria
Sellner, Manuel
Lill, Markus A.
Smieško, Martin
Góra, Artur
author_sort Papaj, Katarzyna
collection PubMed
description Based on previous large-scale in silico screening several factor Xa inhibitors were proposed to potentially inhibit SARS-CoV-2 M(pro). In addition to their known anticoagulants activity this potential inhibition could have an additional therapeutic effect on patients with COVID-19 disease. In this study we examined the binding of the Apixaban, Betrixaban and Rivaroxaban to the SARS-CoV-2 M(pro) with the use of the MicroScale Thermophoresis technique. Our results indicate that the experimentally measured binding affinity is weak and the therapeutic effect due to the SARS-CoV-2 M(pro) inhibition is rather negligible.
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spelling pubmed-87520032022-01-12 Evaluation of Xa inhibitors as potential inhibitors of the SARS-CoV-2 Mpro protease Papaj, Katarzyna Spychalska, Patrycja Kapica, Patryk Fischer, André Nowak, Jakub Bzówka, Maria Sellner, Manuel Lill, Markus A. Smieško, Martin Góra, Artur PLoS One Research Article Based on previous large-scale in silico screening several factor Xa inhibitors were proposed to potentially inhibit SARS-CoV-2 M(pro). In addition to their known anticoagulants activity this potential inhibition could have an additional therapeutic effect on patients with COVID-19 disease. In this study we examined the binding of the Apixaban, Betrixaban and Rivaroxaban to the SARS-CoV-2 M(pro) with the use of the MicroScale Thermophoresis technique. Our results indicate that the experimentally measured binding affinity is weak and the therapeutic effect due to the SARS-CoV-2 M(pro) inhibition is rather negligible. Public Library of Science 2022-01-11 /pmc/articles/PMC8752003/ /pubmed/35015795 http://dx.doi.org/10.1371/journal.pone.0262482 Text en © 2022 Papaj et al https://creativecommons.org/licenses/by/4.0/This is an open access article distributed under the terms of the Creative Commons Attribution License (https://creativecommons.org/licenses/by/4.0/) , which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.
spellingShingle Research Article
Papaj, Katarzyna
Spychalska, Patrycja
Kapica, Patryk
Fischer, André
Nowak, Jakub
Bzówka, Maria
Sellner, Manuel
Lill, Markus A.
Smieško, Martin
Góra, Artur
Evaluation of Xa inhibitors as potential inhibitors of the SARS-CoV-2 Mpro protease
title Evaluation of Xa inhibitors as potential inhibitors of the SARS-CoV-2 Mpro protease
title_full Evaluation of Xa inhibitors as potential inhibitors of the SARS-CoV-2 Mpro protease
title_fullStr Evaluation of Xa inhibitors as potential inhibitors of the SARS-CoV-2 Mpro protease
title_full_unstemmed Evaluation of Xa inhibitors as potential inhibitors of the SARS-CoV-2 Mpro protease
title_short Evaluation of Xa inhibitors as potential inhibitors of the SARS-CoV-2 Mpro protease
title_sort evaluation of xa inhibitors as potential inhibitors of the sars-cov-2 mpro protease
topic Research Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8752003/
https://www.ncbi.nlm.nih.gov/pubmed/35015795
http://dx.doi.org/10.1371/journal.pone.0262482
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