Inhibition of the SARS-CoV-2 3CL
3CL(pro)
4-hydroxy-3-nitrophenylacetic acid (PubChem CID: 447364)
COVID-19
Edible plants
Polyphenols
Protease inhibitor
SARS-CoV-2
caffeic acid (PubChem CID: 689043)
chlorogenic acid (PubChem CID: 1794427)
curcumin (PubChem CID: 969516)
ellagic acid (PubChem CID: 5281855)
epigallocatechin gallate (PubChem CID: 65064)
ferulic acid (PubChem CID: 445858)
galangin (PubChem CID: 5281616)
isorhamnetin (PubChem CID: 5281654)
kaempferol (PubChem CID: 5280863)
kaempferol-rutinoside (PubChem CID:5318767)
phlorizin (PubChem CID: 6072)
protocatechuic acid (PubChem CID: 72)
quercetin (PubChem CID: 5280343)
quinic acid (PubChem CID: 6508)
resveratrol (PubChem CID: 445154)
sinapic acid (PubChem CID: 637775)
syringic acid (PubChem CID: 10742)
umbellic acid (PubChem CID: 446611)
Journal
Food chemistry
ISSN: 1873-7072
Titre abrégé: Food Chem
Pays: England
ID NLM: 7702639
Informations de publication
Date de publication:
30 Mar 2022
30 Mar 2022
Historique:
received:
23
09
2021
revised:
23
10
2021
accepted:
10
11
2021
pubmed:
29
11
2021
medline:
17
12
2021
entrez:
28
11
2021
Statut:
ppublish
Résumé
The abundance of polyphenols in edible plants makes them an important component of human nutrition. Considering the ongoing COVID-19 pandemic, a number of studies have investigated polyphenols as bioactive constituents. We applied in-silico molecular docking as well as molecular dynamics supported by in-vitro assays to determine the inhibitory potential of various plant polyphenols against an important SARS-CoV-2 therapeutic target, the protease 3CL
Identifiants
pubmed: 34838409
pii: S0308-8146(21)02600-5
doi: 10.1016/j.foodchem.2021.131594
pmc: PMC8592230
pii:
doi:
Substances chimiques
Polyphenols
0
Peptide Hydrolases
EC 3.4.-
3C-like proteinase, SARS-CoV-2
EC 3.4.22.-
Coronavirus 3C Proteases
EC 3.4.22.28
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
131594Informations de copyright
Copyright © 2021 The Authors. Published by Elsevier Ltd.. All rights reserved.
Références
Science. 2020 Jun 19;368(6497):1331-1335
pubmed: 32321856
Lancet. 2020 Feb 15;395(10223):470-473
pubmed: 31986257
N Engl J Med. 2020 Feb 20;382(8):727-733
pubmed: 31978945
J Med Chem. 2006 Oct 19;49(21):6177-96
pubmed: 17034125
PLoS One. 2021 Jun 17;16(6):e0253489
pubmed: 34138966
Antiviral Res. 2010 Nov;88(2):227-35
pubmed: 20826184
J Comput Chem. 2010 Jan 30;31(2):455-61
pubmed: 19499576
J Food Biochem. 2020 Aug 11;:e13432
pubmed: 32783247
J Food Biochem. 2021 May;45(5):e13707
pubmed: 33760271
Viruses. 2021 Feb 23;13(2):
pubmed: 33672333
Phytother Res. 2021 Jun;35(6):2841-2845
pubmed: 33448101
Interdiscip Sci. 2021 Sep;13(3):521-534
pubmed: 34324157
PLoS Comput Biol. 2014 Apr 10;10(4):e1003571
pubmed: 24722481
J Phys Chem Lett. 2020 Jun 4;11(11):4413-4420
pubmed: 32406687
J Med Chem. 2010 Apr 8;53(7):2719-40
pubmed: 20131845
Virus Res. 2020 Aug;285:198024
pubmed: 32482591
Curr Opin Food Sci. 2020 Apr;32:149-155
pubmed: 32923374
Nutr Bull. 2017 Sep;42(3):226-235
pubmed: 28983192
Food Biosci. 2021 Apr;40:100891
pubmed: 33495727
Phytother Res. 2021 Jun;35(6):2879-2889
pubmed: 33354848
Pediatr Infect Dis J. 2005 Nov;24(11 Suppl):S223-7, discussion S226
pubmed: 16378050
Int J Biol Macromol. 2021 Apr 15;176:1-12
pubmed: 33548314
Biochem Soc Trans. 2010 Feb;38(Pt 1):50-3
pubmed: 20074034
Biomedicines. 2021 Apr 02;9(4):
pubmed: 33918402
J Chem Inf Model. 2013 Feb 25;53(2):384-90
pubmed: 23351099
Bioorg Med Chem Lett. 2010 Mar 15;20(6):1873-6
pubmed: 20167482
Front Pharmacol. 2020 Sep 15;11:572870
pubmed: 33041814
PLoS One. 2020 Jul 21;15(7):e0236307
pubmed: 32692757
Nat Rev Microbiol. 2016 Aug;14(8):523-34
pubmed: 27344959
Biochem Biophys Res Commun. 2022 Feb 5;591:130-136
pubmed: 33454058
J Comput Chem. 2015 May 15;36(13):996-1007
pubmed: 25824339
Int J Biol Macromol. 2020 Dec 1;164:1693-1703
pubmed: 32745548
Commun Biol. 2021 Jan 20;4(1):93
pubmed: 33473151
J Virol. 2015 Oct;89(19):10053-63
pubmed: 26202241
Phytother Res. 2021 Mar;35(3):1127-1129
pubmed: 33222316