Open AccessEvaluation of Xa inhibitors as potential inhibitors of the SARS-CoV-2 Mpro protease
Author(s) -
Katarzyna Papaj,
Patrycja Spychalska,
Patryk Kapica,
André Fischer,
Jakub Nowak,
Maria Bzówka,
Manuel Sellner,
Markus A. Lill,
Martin Smieško,
Artur Góra
Publication year - 2022
Publication title -
plos one
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.99
H-Index - 332
ISSN - 1932-6203
DOI - 10.1371/journal.pone.0262482
Subject(s) - microscale thermophoresis , apixaban , protease , in silico , rivaroxaban , covid-19 , chemistry , proteases , pharmacology , computational biology , enzyme , biochemistry , biology , medicine , disease , infectious disease (medical specialty) , pathology , warfarin , cardiology , gene , atrial fibrillation
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.