Supervised Molecular Dynamics (SuMD) Insights into the mechanism of action of SARS-CoV-2 main protease inhibitor PF-07321332.
Covid-19
PF-07321332
SARS-CoV-2
SuMD
Journal
Journal of enzyme inhibition and medicinal chemistry
ISSN: 1475-6374
Titre abrégé: J Enzyme Inhib Med Chem
Pays: England
ID NLM: 101150203
Informations de publication
Date de publication:
Dec 2021
Dec 2021
Historique:
entrez:
22
7
2021
pubmed:
23
7
2021
medline:
27
7
2021
Statut:
ppublish
Résumé
The chemical structure of PF-07321332, the first orally available Covid-19 clinical candidate, has recently been revealed by Pfizer. No information has been provided about the interaction pattern between PF-07321332 and its biomolecular counterpart, the SARS-CoV-2 main protease (M
Identifiants
pubmed: 34289752
doi: 10.1080/14756366.2021.1954919
pmc: PMC8300928
doi:
Substances chimiques
Antiviral Agents
0
Lactams
0
Ligands
0
Nitriles
0
Protease Inhibitors
0
nirmatrelvir
7R9A5P7H32
Proline
9DLQ4CIU6V
Peptide Hydrolases
EC 3.4.-
Leucine
GMW67QNF9C
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
1646-1650Références
Am J Clin Pathol. 2020 Mar 9;153(4):420-421
pubmed: 32053148
J Chem Inf Model. 2009 Jan;49(1):84-96
pubmed: 19125657
Bioinformatics. 2011 Jun 1;27(11):1575-7
pubmed: 21471012
Nat Commun. 2021 Jan 12;12(1):279
pubmed: 33436624
Nature. 2020 Jun;582(7811):289-293
pubmed: 32272481
ACS Comb Sci. 2020 Jun 8;22(6):297-305
pubmed: 32402186
Biophys J. 2010 Apr 7;98(7):1327-36
pubmed: 20371333
J Med Virol. 2020 May;92(5):479-490
pubmed: 32052466
Expert Opin Ther Pat. 2021 Apr;31(4):309-324
pubmed: 33246378
Acc Chem Res. 2008 Jan;41(1):50-9
pubmed: 18193821
J Chem Theory Comput. 2009 Jun 9;5(6):1632-9
pubmed: 26609855
PLoS Comput Biol. 2017 Jul 26;13(7):e1005659
pubmed: 28746339
Rev Panam Salud Publica. 2020 Mar 20;44:e40
pubmed: 32256547
J Chem Inf Model. 2014 Feb 24;54(2):372-6
pubmed: 24456045
ChemMedChem. 2021 Jul 6;16(13):2075-2081
pubmed: 33797868
N Engl J Med. 2020 Nov 5;383(19):1813-1826
pubmed: 32445440
Sci Rep. 2021 Apr 1;11(1):7429
pubmed: 33795718
Lancet. 2020 Feb 22;395(10224):542-545
pubmed: 32061313
Sci Rep. 2020 Dec 1;10(1):20927
pubmed: 33262359