State-of-the-art tools unveil potent drug targets amongst clinically approved drugs to inhibit helicase in SARS-CoV-2.
COVID-19
SARS-CoV-2
antiretroviral agents
clinically approved drugs
helicase
molecular docking
Journal
Archives of medical science : AMS
ISSN: 1734-1922
Titre abrégé: Arch Med Sci
Pays: Poland
ID NLM: 101258257
Informations de publication
Date de publication:
2020
2020
Historique:
received:
11
04
2020
accepted:
15
04
2020
entrez:
14
5
2020
pubmed:
14
5
2020
medline:
14
5
2020
Statut:
epublish
Résumé
The extreme health and economic problems in the world due to the SARS-CoV-2 infection have led to an urgent need to identify potential drug targets for treating coronavirus disease 2019 (COVID-19). The present state-of-the-art tool-based screening was targeted to identify drug targets among clinically approved drugs by uncovering SARS-CoV-2 helicase inhibitors through molecular docking analysis. Helicase is a vital viral replication enzyme, which unwinds nucleic acids and separates the double-stranded nucleic acids into single-stranded nucleic acids. Hence, the SARS-CoV-2 helicase protein 3D structure was predicted, validated, and used to screen the druggable targets among clinically approved drugs such as protease inhibitor, nucleoside reverse transcriptase inhibitor, and non-nucleoside reverse transcriptase inhibitors, used to treat HIV infection using molecular docking analysis. Interaction with SARS-CoV-2 helicase, approved drugs, vapreotide (affinity: -12.88; The study suggests that vapreotide may be a choice of drug for wet lab studies to inhibit the infection of SARS-CoV-2.
Identifiants
pubmed: 32399096
doi: 10.5114/aoms.2020.94567
pii: 40407
pmc: PMC7212215
doi:
Types de publication
Journal Article
Langues
eng
Pagination
508-518Informations de copyright
Copyright: © 2020 Termedia & Banach.
Déclaration de conflit d'intérêts
The authors declare no conflict of interest.
Références
J Virol. 2004 Jun;78(11):5619-32
pubmed: 15140959
PLoS Pathog. 2017 Jun 26;13(6):e1006474
pubmed: 28651017
Mol Biol Evol. 2013 Apr;30(4):772-80
pubmed: 23329690
Emerg Infect Dis. 2006 Dec;12(12):1834-40
pubmed: 17326933
AIDS. 1992 Jul;6(7):715-8
pubmed: 1354449
Nucleic Acids Res. 2019 Jul 9;47(12):6538-6550
pubmed: 31131400
mSphere. 2016 Sep 07;1(5):
pubmed: 27631026
Lancet. 2003 Apr 19;361(9366):1319-25
pubmed: 12711465
J Biol Chem. 2003 Oct 10;278(41):39578-82
pubmed: 12917423
J Med Virol. 2020 Apr;92(4):418-423
pubmed: 31967327
Nucleic Acids Res. 1997 Sep 1;25(17):3389-402
pubmed: 9254694
Methods Mol Biol. 2020;2099:69-85
pubmed: 31883088
Evolution. 1985 Jul;39(4):783-791
pubmed: 28561359
Nat Rev Drug Discov. 2004 Nov;3(11):935-49
pubmed: 15520816
Protein Sci. 2018 Jan;27(1):129-134
pubmed: 28875543
Int J Infect Dis. 2020 Feb;91:264-266
pubmed: 31953166
Mol Biol Evol. 2016 Jul;33(7):1870-4
pubmed: 27004904
Nucleic Acids Res. 2018 Jan 4;46(D1):D1074-D1082
pubmed: 29126136
J Genet Genomics. 2020 Feb 20;47(2):119-121
pubmed: 32173287
Drug Discov Today. 2020 Apr;25(4):668-688
pubmed: 32006468
Comput Appl Biosci. 1992 Jun;8(3):275-82
pubmed: 1633570
Antimicrob Agents Chemother. 2003 Apr;47(4):1324-33
pubmed: 12654666