Discovery of novel SARS-CoV-2 inhibitors targeting the main protease M
Antivirals
Main protease M(pro)
SARS-CoV-2
Virtual screening
Journal
Antiviral research
ISSN: 1872-9096
Titre abrégé: Antiviral Res
Pays: Netherlands
ID NLM: 8109699
Informations de publication
Date de publication:
08 2022
08 2022
Historique:
received:
14
02
2022
revised:
25
05
2022
accepted:
30
05
2022
pubmed:
11
6
2022
medline:
14
7
2022
entrez:
10
6
2022
Statut:
ppublish
Résumé
Two years after its emergence, SARS-CoV-2 still represents a serious and global threat to human health. Antiviral drug development usually takes a long time and, to increase the chances of success, chemical variability of hit compounds represents a valuable source for the discovery of new antivirals. In this work, we applied a platform of variably oriented virtual screening campaigns to seek for novel chemical scaffolds for SARS-CoV-2 main protease (M
Identifiants
pubmed: 35688349
pii: S0166-3542(22)00119-X
doi: 10.1016/j.antiviral.2022.105350
pmc: PMC9172283
pii:
doi:
Substances chimiques
Antiviral Agents
0
Protease Inhibitors
0
3C-like proteinase, SARS-CoV-2
EC 3.4.22.-
Coronavirus 3C Proteases
EC 3.4.22.28
Types de publication
Journal Article
Research Support, Non-U.S. Gov't
Langues
eng
Sous-ensembles de citation
IM
Pagination
105350Informations de copyright
Copyright © 2022 Elsevier B.V. All rights reserved.
Références
J Med Chem. 2021 Dec 9;64(23):16922-16955
pubmed: 34798775
J Chem Inf Model. 2007 Mar-Apr;47(2):279-94
pubmed: 17381166
Front Mol Biosci. 2020 Dec 04;7:616341
pubmed: 33344509
J Med Chem. 2013 Dec 27;56(24):10118-31
pubmed: 24313730
Sci Rep. 2020 Nov 30;10(1):20808
pubmed: 33257760
ALTEX. 2019 Nov 08;37(1):85-94
pubmed: 31707420
Antimicrob Agents Chemother. 2012 Nov;56(11):6009-13
pubmed: 22908168
Proc Natl Acad Sci U S A. 2021 Sep 7;118(36):
pubmed: 34475216
Antiviral Res. 2021 May;189:105062
pubmed: 33722615
Sci Rep. 2016 Jul 12;6:29086
pubmed: 27404291
Eur J Med Chem. 2021 Jan 1;209:112944
pubmed: 33328103
Nat Rev Drug Discov. 2003 Jan;2(1):63-9
pubmed: 12509760
Antiviral Res. 2019 May;165:55-64
pubmed: 30885750
PLoS Comput Biol. 2017 Jun 29;13(6):e1005522
pubmed: 28662117
Eur J Med Chem. 2021 Dec 15;226:113814
pubmed: 34534839
Front Chem. 2020 Apr 28;8:343
pubmed: 32411671
J Cheminform. 2012 Aug 21;4(1):18
pubmed: 22908879
J Med Chem. 2014 May 22;57(10):4337-50
pubmed: 24785979
J Med Chem. 2004 Oct 7;47(21):5114-25
pubmed: 15456255
Molecules. 2020 Oct 15;25(20):
pubmed: 33076254
Proc Natl Acad Sci U S A. 2012 Apr 17;109(16):6247-52
pubmed: 22474359
Cell Rep. 2021 Oct 26;37(4):109892
pubmed: 34672947
Eur J Med Chem. 2017 Sep 29;138:128-139
pubmed: 28666191
Trends Microbiol. 2016 Jun;24(6):490-502
pubmed: 27012512
Science. 2020 Apr 24;368(6489):409-412
pubmed: 32198291
Bioorg Chem. 2021 Sep;114:105042
pubmed: 34120024
Br J Pharmacol. 2015 Oct;172(20):4888-904
pubmed: 26220580
Nat Neurosci. 2021 Nov;24(11):1522-1533
pubmed: 34675436
Expert Opin Drug Discov. 2014 Aug;9(8):931-43
pubmed: 24877566
Cell Rep. 2021 May 18;35(7):109133
pubmed: 33984267
J Med Chem. 2015 May 14;58(9):3830-42
pubmed: 25856229
Drug Dev Res. 2022 Feb;83(1):16-54
pubmed: 34762760
ChemMedChem. 2016 Aug 5;11(15):1653-66
pubmed: 27404817
Cell Chem Biol. 2016 Mar 17;23(3):340-51
pubmed: 26877023
Proteins. 2015 Mar;83(3):517-32
pubmed: 25556939
Nature. 2020 Jun;582(7811):289-293
pubmed: 32272481
Nucleic Acids Res. 2012 Jan;40(Database issue):D541-8
pubmed: 22135290