Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.

Antiviral Agents / therapeutic use Coronavirus 3C Proteases Cysteine Endopeptidases / metabolism Hepacivirus / metabolism Humans Molecular Docking Simulation Protease Inhibitors / chemistry SARS-CoV-2 Viral Nonstructural Proteins / genetics COVID-19 Drug Treatment

Journal

Scientific reports
ISSN: 2045-2322
Titre abrégé: Sci Rep
Pays: England
ID NLM: 101563288

Informations de publication

Date de publication:
16 07 2022
Historique:
received: 25 12 2021
accepted: 01 07 2022
entrez: 16 7 2022
pubmed: 17 7 2022
medline: 20 7 2022
Statut: epublish

Résumé

Severe acute respiratory syndrome-coronavirus 2 (SARS-CoV-2), which causes coronavirus disease 2019 (COVID-19), threatens global public health. The world needs rapid development of new antivirals and vaccines to control the current pandemic and to control the spread of the variants. Among the proteins synthesized by the SARS-CoV-2 genome, main protease (M

Identifiants

DOI: 10.1038/s41598-022-15930-z PMID: 35842458 PMC: PMC9287821
pubmed: 35842458
doi: 10.1038/s41598-022-15930-z
pii: 10.1038/s41598-022-15930-z
pmc: PMC9287821
doi:

Substances chimiques

Antiviral Agents 0
Protease Inhibitors 0
Viral Nonstructural Proteins 0
3C-like proteinase, SARS-CoV-2 EC 3.4.22.-
Cysteine Endopeptidases EC 3.4.22.-
Coronavirus 3C Proteases EC 3.4.22.28

Types de publication

Journal Article Research Support, Non-U.S. Gov't Research Support, N.I.H., Extramural

Langues

eng

Sous-ensembles de citation

IM

Pagination

12197

Subventions

Organisme : NIGMS NIH HHS
ID : P30 GM133893
Pays : United States

Informations de copyright

© 2022. This is a U.S. Government work and not under copyright protection in the US; foreign copyright protection may apply.

Références

Protein Cell. 2022 Sep;13(9):689-693
pubmed: 34687004
Acta Crystallogr D Biol Crystallogr. 2011 Apr;67(Pt 4):355-67
pubmed: 21460454
ACS Cent Sci. 2020 May 27;6(5):672-683
pubmed: 32483554
Cell. 2020 Aug 20;182(4):812-827.e19
pubmed: 32697968
Proc Natl Acad Sci U S A. 2005 Aug 16;102(33):11876-81
pubmed: 16081529
Acta Crystallogr D Biol Crystallogr. 2010 Apr;66(Pt 4):486-501
pubmed: 20383002
Science. 2021 Dec 24;374(6575):1586-1593
pubmed: 34726479
Science. 2020 Apr 24;368(6489):409-412
pubmed: 32198291
Cell Rep. 2021 May 18;35(7):109133
pubmed: 33984267
J Chem Inf Model. 2011 Oct 24;51(10):2778-86
pubmed: 21919503
Science. 2021 May 7;372(6542):642-646
pubmed: 33811162
J Appl Crystallogr. 2007 Aug 1;40(Pt 4):658-674
pubmed: 19461840
Nat Commun. 2020 Aug 27;11(1):4282
pubmed: 32855413
RSC Med Chem. 2020 Dec 21;12(3):370-379
pubmed: 34041486
Science. 2020 Jun 19;368(6497):1331-1335
pubmed: 32321856
Structure. 2020 Dec 1;28(12):1313-1320.e3
pubmed: 33152262
Circ Res. 2021 Apr 16;128(8):1214-1236
pubmed: 33856918
iScience. 2020 Oct 23;23(10):101642
pubmed: 33043282
Nature. 2020 Mar;579(7798):270-273
pubmed: 32015507
Nat Commun. 2020 Sep 4;11(1):4417
pubmed: 32887884
Biochimie. 2010 Nov;92(11):1618-24
pubmed: 20447439
Acta Crystallogr D Biol Crystallogr. 2011 Apr;67(Pt 4):235-42
pubmed: 21460441
Cell Res. 2020 Aug;30(8):678-692
pubmed: 32541865
PLoS One. 2021 Feb 1;16(2):e0245962
pubmed: 33524017
Acta Pharmacol Sin. 2020 Sep;41(9):1141-1149
pubmed: 32747721
Signal Transduct Target Ther. 2020 Dec 28;5(1):299
pubmed: 33372174
Acta Crystallogr D Biol Crystallogr. 2010 Feb;66(Pt 2):133-44
pubmed: 20124693
Sci Rep. 2017 Mar 03;7:42717
pubmed: 28256516
Front Immunol. 2020 Apr 21;11:811
pubmed: 32373134
Biophys Chem. 2021 Feb;269:106510
pubmed: 33285430
J Comput Chem. 2010 Jan 30;31(2):455-61
pubmed: 19499576
J Antibiot (Tokyo). 1969 Nov;22(11):558-68
pubmed: 4243683
Acta Crystallogr D Struct Biol. 2019 Oct 1;75(Pt 10):861-877
pubmed: 31588918
Acta Crystallogr D Biol Crystallogr. 2002 Nov;58(Pt 11):1948-54
pubmed: 12393927
Nat Commun. 2021 Jun 8;12(1):3433
pubmed: 34103506
Acta Crystallogr D Biol Crystallogr. 2010 Feb;66(Pt 2):125-32
pubmed: 20124692
Nat Commun. 2022 Apr 27;13(1):2268
pubmed: 35477935
Nat Commun. 2021 Apr 1;12(1):2016
pubmed: 33795671
J Chem Inf Model. 2015 Nov 23;55(11):2324-37
pubmed: 26479676
Nature. 2020 Jun;582(7811):289-293
pubmed: 32272481
Nature. 2020 Jul;583(7816):459-468
pubmed: 32353859
Nat Commun. 2021 Mar 29;12(1):1936
pubmed: 33782395
Protein Expr Purif. 2005 May;41(1):207-34
pubmed: 15915565
Nature. 2020 Oct;586(7827):113-119
pubmed: 32707573
Am J Cancer Res. 2020 Aug 01;10(8):2535-2545
pubmed: 32905393
Nature. 2020 Mar;579(7798):265-269
pubmed: 32015508

Auteurs

Babak Andi (B)

Center for BioMolecular Structure, NSLS-II, Brookhaven National Laboratory, Upton, NY, 11973, USA. bandi@bnl.gov.
National Virtual Biotechnology Laboratory (NVBL), US Department of Energy, Washington, DC, USA. bandi@bnl.gov.

Desigan Kumaran (D)

Biology Department, Brookhaven National Laboratory, Upton, NY, 11973, USA. kumaran@bnl.gov.
National Virtual Biotechnology Laboratory (NVBL), US Department of Energy, Washington, DC, USA. kumaran@bnl.gov.

Dale F Kreitler (DF)

Center for BioMolecular Structure, NSLS-II, Brookhaven National Laboratory, Upton, NY, 11973, USA.

Alexei S Soares (AS)

Center for BioMolecular Structure, NSLS-II, Brookhaven National Laboratory, Upton, NY, 11973, USA.

Jantana Keereetaweep (J)

Biology Department, Brookhaven National Laboratory, Upton, NY, 11973, USA.

Jean Jakoncic (J)

Center for BioMolecular Structure, NSLS-II, Brookhaven National Laboratory, Upton, NY, 11973, USA.

Edwin O Lazo (EO)

Center for BioMolecular Structure, NSLS-II, Brookhaven National Laboratory, Upton, NY, 11973, USA.

Wuxian Shi (W)

Center for BioMolecular Structure, NSLS-II, Brookhaven National Laboratory, Upton, NY, 11973, USA.

Martin R Fuchs (MR)

Center for BioMolecular Structure, NSLS-II, Brookhaven National Laboratory, Upton, NY, 11973, USA.

Robert M Sweet (RM)

Center for BioMolecular Structure, NSLS-II, Brookhaven National Laboratory, Upton, NY, 11973, USA.

John Shanklin (J)

Biology Department, Brookhaven National Laboratory, Upton, NY, 11973, USA.

Paul D Adams (PD)

Molecular Biophysics and Integrated Bioimaging Division, Lawrence Berkeley National Laboratory, Berkeley, CA, 94720, USA.
Department of Bioengineering, University of California, Berkeley, CA, 94720, USA.
National Virtual Biotechnology Laboratory (NVBL), US Department of Energy, Washington, DC, USA.

Jurgen G Schmidt (JG)

Bioscience Division, Los Alamos National Laboratory, Los Alamos, NM, 87545, USA.
National Virtual Biotechnology Laboratory (NVBL), US Department of Energy, Washington, DC, USA.

Martha S Head (MS)

Joint Institute for Biological Sciences, Oak Ridge National Laboratory, Oak Ridge, TN, 37831, USA.
National Virtual Biotechnology Laboratory (NVBL), US Department of Energy, Washington, DC, USA.

Sean McSweeney (S)

Center for BioMolecular Structure, NSLS-II, Brookhaven National Laboratory, Upton, NY, 11973, USA. smcsweeney@bnl.gov.
Biology Department, Brookhaven National Laboratory, Upton, NY, 11973, USA. smcsweeney@bnl.gov.
National Virtual Biotechnology Laboratory (NVBL), US Department of Energy, Washington, DC, USA. smcsweeney@bnl.gov.

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Classifications MeSH

questionsmedicales.fr › Actions chimiques et utilisations › Actions pharmacologiques › Utilisations thérapeutiques › Anti-infectieux › Antiviraux › Hepatitis C virus NS3/4A inhibitors and other...
questionsmedicales.fr › Acides aminés, peptides et protéines › Protéines › Protéines virales › Protéines virales non structurales › Protéases virales › Protéases virales 3C › Protéases 3C des coronavirus › Hepatitis C virus NS3/4A inhibitors and other...
questionsmedicales.fr › Enzymes et coenzymes › Enzymes › Hydrolases › Peptide hydrolases › Endopeptidases › Cysteine endopeptidases › Hepatitis C virus NS3/4A inhibitors and other...
questionsmedicales.fr › Virus › Virus à ARN › Virus à ARN à brin positif › Flaviviridae › Hepacivirus › Hepatitis C virus NS3/4A inhibitors and other...
questionsmedicales.fr › Eucaryotes › Animaux › Chordés › Vertébrés › Mammifères › Eutheria › Primates › Haplorhini › Catarrhini › Hominidae › Humains › Hepatitis C virus NS3/4A inhibitors and other...
questionsmedicales.fr › Sciences de l'information › Méthodologies informatiques › Simulation numérique › Simulation de docking moléculaire › Hepatitis C virus NS3/4A inhibitors and other...
questionsmedicales.fr › Actions chimiques et utilisations › Actions pharmacologiques › Mécanismes moléculaires de l'action pharmacologique › Antienzymes › Inhibiteurs de protéases › Hepatitis C virus NS3/4A inhibitors and other...
questionsmedicales.fr › Virus › Virus à ARN › Virus à ARN à brin positif › Nidovirales › Coronaviridae › Coronavirus › Betacoronavirus › Virus du SRAS › SARS-CoV-2 › Hepatitis C virus NS3/4A inhibitors and other...
questionsmedicales.fr › Acides aminés, peptides et protéines › Protéines › Protéines virales › Protéines virales non structurales › Hepatitis C virus NS3/4A inhibitors and other...
questionsmedicales.fr › Thérapeutique › Traitement médicamenteux › Traitements médicamenteux de la COVID-19 › Hepatitis C virus NS3/4A inhibitors and other...