Structural Insight into the Binding of Cyanovirin-N with the Spike Glycoprotein, M
Antiviral Agents
/ pharmacology
Bacterial Proteins
/ pharmacology
COVID-19
/ virology
Coronavirus 3C Proteases
/ antagonists & inhibitors
Coronavirus Papain-Like Proteases
/ antagonists & inhibitors
Coronavirus Protease Inhibitors
/ pharmacology
Humans
Molecular Docking Simulation
Molecular Dynamics Simulation
Protein Binding
Protein Interaction Mapping
Spike Glycoprotein, Coronavirus
/ antagonists & inhibitors
X-Ray Diffraction
COVID-19 Drug Treatment
Mpro
PLpro
SARS-CoV-2
cyanobacteria
cyanovirin-N
molecular docking
molecular dynamics simulations
phycocyanin
scytovirin
spike protein
Journal
Molecules (Basel, Switzerland)
ISSN: 1420-3049
Titre abrégé: Molecules
Pays: Switzerland
ID NLM: 100964009
Informations de publication
Date de publication:
24 Aug 2021
24 Aug 2021
Historique:
received:
02
06
2021
revised:
15
07
2021
accepted:
26
07
2021
entrez:
10
9
2021
pubmed:
11
9
2021
medline:
15
9
2021
Statut:
epublish
Résumé
The emergence of COVID-19 continues to pose severe threats to global public health. The pandemic has infected over 171 million people and claimed more than 3.5 million lives to date. We investigated the binding potential of antiviral cyanobacterial proteins including cyanovirin-N, scytovirin and phycocyanin with fundamental proteins involved in attachment and replication of SARS-CoV-2. Cyanovirin-N displayed the highest binding energy scores (-16.8 ± 0.02 kcal/mol, -12.3 ± 0.03 kcal/mol and -13.4 ± 0.02 kcal/mol, respectively) with the spike protein, the main protease (M
Identifiants
pubmed: 34500548
pii: molecules26175114
doi: 10.3390/molecules26175114
pmc: PMC8434238
pii:
doi:
Substances chimiques
Antiviral Agents
0
Bacterial Proteins
0
Coronavirus Protease Inhibitors
0
Spike Glycoprotein, Coronavirus
0
spike protein, SARS-CoV-2
0
cyanovirin N
184539-38-6
3C-like proteinase, SARS-CoV-2
EC 3.4.22.-
Coronavirus Papain-Like Proteases
EC 3.4.22.2
papain-like protease, SARS-CoV-2
EC 3.4.22.2
Coronavirus 3C Proteases
EC 3.4.22.28
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Références
Nature. 2020 Mar;579(7798):270-273
pubmed: 32015507
Science. 2020 Jul 31;369(6503):510-511
pubmed: 32732413
J Biomol Struct Dyn. 2021 Apr;39(7):2617-2627
pubmed: 32238078
J Biomol Struct Dyn. 2020 Jul 21;:1-13
pubmed: 32691680
Future Med Chem. 2020 Sep;12(18):1647-1656
pubmed: 32672061
Ther Deliv. 2013 Nov;4(11):1443-67
pubmed: 24228993
F1000Res. 2017 Feb 7;6:113
pubmed: 28232867
J Biomol Struct Dyn. 2021 Apr;39(7):2607-2616
pubmed: 32238094
JAMA. 2020 May 12;323(18):1824-1836
pubmed: 32282022
Nat Med. 2020 Oct;26(10):1636-1643
pubmed: 32839624
J Virol. 2020 Jul 1;94(14):
pubmed: 32376627
N Engl J Med. 2021 Feb 25;384(8):693-704
pubmed: 32678530
Eur Rev Med Pharmacol Sci. 2020 Sep;24(17):9169-9171
pubmed: 32965010
Front Mol Biosci. 2021 Apr 13;8:629873
pubmed: 33928117
Transp Res Interdiscip Perspect. 2021 Mar;9:100282
pubmed: 33748743
PLoS Pathog. 2021 Jan 25;17(1):e1009246
pubmed: 33493182
Cleve Clin J Med. 2020 Sep 23;:
pubmed: 32967859
J Virol. 2000 May;74(10):4562-9
pubmed: 10775592
Antiviral Res. 2003 Mar;58(1):47-56
pubmed: 12719006
Nat Med. 2020 Apr;26(4):450-452
pubmed: 32284615
Chem Sci. 2020 Nov 27;12(4):1433-1444
pubmed: 34163906
Front Immunol. 2020 Jun 16;11:1446
pubmed: 32612617
Antimicrob Agents Chemother. 2020 May 21;64(6):
pubmed: 32205349
Nat Rev Microbiol. 2021 Mar;19(3):155-170
pubmed: 33116300
Cell. 2020 Apr 16;181(2):281-292.e6
pubmed: 32155444
Biomolecules. 2021 Mar 22;11(3):
pubmed: 33810129
Antiviral Res. 2015 Mar;115:21-38
pubmed: 25554382
Bio Protoc. 2017 Feb 05;7(3):e2124
pubmed: 34458447
EXCLI J. 2020 Mar 18;19:410-417
pubmed: 32210742
J Biomol Struct Dyn. 2021 Jul;39(10):3449-3458
pubmed: 32397940
Forensic Sci Med Pathol. 2021 Jun;17(2):279-296
pubmed: 33026628
Nature. 2020 May;581(7807):221-224
pubmed: 32225175
Nature. 2020 Nov;587(7835):657-662
pubmed: 32726803
J Virol. 2020 Mar 17;94(7):
pubmed: 31996437
Nucleic Acids Res. 2006 Jul 1;34(Web Server issue):W310-4
pubmed: 16845016
Cell Mol Immunol. 2020 Jun;17(6):613-620
pubmed: 32203189
New Microbes New Infect. 2020 Nov;38:100792
pubmed: 33101694
Signal Transduct Target Ther. 2021 Mar 27;6(1):134
pubmed: 33774649
J Biomol Struct Dyn. 2021 May;39(8):2679-2692
pubmed: 32266873
Virology. 2021 Jan 2;552:107-111
pubmed: 33130382
J Biomol Struct Dyn. 2021 Apr;39(7):2673-2678
pubmed: 32248766
Protein Eng. 1995 Feb;8(2):127-34
pubmed: 7630882
J Chem Inf Model. 2014 Jul 28;54(7):1951-62
pubmed: 24850022
Cancers (Basel). 2020 Nov 10;12(11):
pubmed: 33182653
Science. 2020 Jul 17;369(6501):330-333
pubmed: 32366695
Nature. 2020 Jun;582(7811):289-293
pubmed: 32272481
Mol Pharmacol. 2001 May;59(5):949-54
pubmed: 11306674
J Biomol Struct Dyn. 2021 Aug;39(13):4774-4785
pubmed: 32552595
Cell. 2020 Apr 16;181(2):271-280.e8
pubmed: 32142651
J Mol Biol. 2007 Jun 1;369(2):451-61
pubmed: 17434526
Cell Mol Immunol. 2020 Jul;17(7):765-767
pubmed: 32047258
J Biol Chem. 2017 Jun 16;292(24):10197-10219
pubmed: 28446609
Cell. 2020 May 14;181(4):894-904.e9
pubmed: 32275855
Nature. 2020 Mar;579(7798):265-269
pubmed: 32015508
Int J Antimicrob Agents. 2020 Jul;56(1):105949
pubmed: 32205204
Sci Adv. 2020 Oct 16;6(42):
pubmed: 33067239