Functional characterization of hypothetical proteins from Monkeypox virus.

Bioinformatics analysis Drug target identification Hypothetical proteins Monkeypox Monkeypox virus

Journal

Journal, genetic engineering & biotechnology
ISSN: 2090-5920
Titre abrégé: J Genet Eng Biotechnol
Pays: Netherlands
ID NLM: 101317150

Informations de publication

Date de publication:
26 Apr 2023
Historique:
received: 24 10 2022
accepted: 20 04 2023
medline: 26 4 2023
pubmed: 26 4 2023
entrez: 26 4 2023
Statut: epublish

Résumé

Monkeypox virus is a small, double-stranded DNA virus that causes a zoonotic disease called Monkeypox. The disease has spread from Central and West Africa to Europe and North America and created havoc in some countries all around the world. The complete genome of the Monkeypox virus Zaire-96-I-16 has been sequenced. The viral strain contains 191 protein-coding genes with 30 hypothetical proteins whose structure and function are still unknown. Hence, it is imperative to functionally and structurally annotate the hypothetical proteins to get a clear understanding of novel drug and vaccine targets. The purpose of the study was to characterize the 30 hypothetical proteins through the determination of physicochemical properties, subcellular characterization, function prediction, functional domain prediction, structure prediction, structure validation, structural analysis, and ligand binding sites using Bioinformatics tools. The structural and functional analysis of 30 hypothetical proteins was carried out in this research. Out of these, 3 hypothetical functions (Q8V547, Q8V4S4, Q8V4Q4) could be assigned a structure and function confidently. Q8V547 protein in Monkeypox virus Zaire-96-I-16 is predicted as an apoptosis regulator which promotes viral replication in the infected host cell. Q8V4S4 is predicted as a nuclease responsible for viral evasion in the host. The function of Q8V4Q4 is to prevent host NF-kappa-B activation in response to pro-inflammatory cytokines like TNF alpha or interleukin 1 beta. Out of the 30 hypothetical proteins of Monkeypox virus Zaire-96-I-16, 3 were annotated using various bioinformatics tools. These proteins function as apoptosis regulators, nuclease, and inhibitors of NF-Kappa-B activator. The functional and structural annotation of the proteins can be used to perform a docking with potential leads to discover novel drugs and vaccines against the Monkeypox. In vivo research can be carried out to identify the complete potential of the annotated proteins.

Sections du résumé

BACKGROUND BACKGROUND
Monkeypox virus is a small, double-stranded DNA virus that causes a zoonotic disease called Monkeypox. The disease has spread from Central and West Africa to Europe and North America and created havoc in some countries all around the world. The complete genome of the Monkeypox virus Zaire-96-I-16 has been sequenced. The viral strain contains 191 protein-coding genes with 30 hypothetical proteins whose structure and function are still unknown. Hence, it is imperative to functionally and structurally annotate the hypothetical proteins to get a clear understanding of novel drug and vaccine targets. The purpose of the study was to characterize the 30 hypothetical proteins through the determination of physicochemical properties, subcellular characterization, function prediction, functional domain prediction, structure prediction, structure validation, structural analysis, and ligand binding sites using Bioinformatics tools.
RESULTS RESULTS
The structural and functional analysis of 30 hypothetical proteins was carried out in this research. Out of these, 3 hypothetical functions (Q8V547, Q8V4S4, Q8V4Q4) could be assigned a structure and function confidently. Q8V547 protein in Monkeypox virus Zaire-96-I-16 is predicted as an apoptosis regulator which promotes viral replication in the infected host cell. Q8V4S4 is predicted as a nuclease responsible for viral evasion in the host. The function of Q8V4Q4 is to prevent host NF-kappa-B activation in response to pro-inflammatory cytokines like TNF alpha or interleukin 1 beta.
CONCLUSIONS CONCLUSIONS
Out of the 30 hypothetical proteins of Monkeypox virus Zaire-96-I-16, 3 were annotated using various bioinformatics tools. These proteins function as apoptosis regulators, nuclease, and inhibitors of NF-Kappa-B activator. The functional and structural annotation of the proteins can be used to perform a docking with potential leads to discover novel drugs and vaccines against the Monkeypox. In vivo research can be carried out to identify the complete potential of the annotated proteins.

Identifiants

pubmed: 37099065
doi: 10.1186/s43141-023-00505-w
pii: 10.1186/s43141-023-00505-w
pmc: PMC10133424
doi:

Types de publication

Journal Article

Langues

eng

Pagination

46

Commentaires et corrections

Type : ErratumIn

Informations de copyright

© 2023. The Author(s).

Références

Nat Protoc. 2015 Jun;10(6):845-58
pubmed: 25950237
Emerg Infect Dis. 2019 Feb;25(2):281-289
pubmed: 30666937
Bioinformatics. 2001 Sep;17(9):849-50
pubmed: 11590105
Proteins. 1997 Jul;28(3):405-20
pubmed: 9223186
Proc Int Conf Intell Syst Mol Biol. 1998;6:175-82
pubmed: 9783223
Protein Sci. 2002 Feb;11(2):233-44
pubmed: 11790833
Nucleic Acids Res. 2003 Jul 1;31(13):3784-8
pubmed: 12824418
Nucleic Acids Res. 2000 Jan 1;28(1):231-4
pubmed: 10592234
Bioinformatics. 2020 Mar 1;36(6):1765-1771
pubmed: 31697312
Nucleic Acids Res. 2021 Jan 8;49(D1):D412-D419
pubmed: 33125078
FEBS Lett. 2001 Nov 30;509(1):66-70
pubmed: 11734207
J Mol Biol. 1990 Oct 5;215(3):403-10
pubmed: 2231712
J Mol Biol. 1998 Oct 23;283(2):489-506
pubmed: 9769220
Protein Eng. 1990 Dec;4(2):155-61
pubmed: 2075190
J Virol. 2006 Oct;80(19):9455-64
pubmed: 16973551
Nucleic Acids Res. 2012 Jan;40(Database issue):D302-5
pubmed: 22053084
Virol Sin. 2022 Aug;37(4):477-482
pubmed: 35820590
Nucleic Acids Res. 2013 Jan;41(Database issue):D1096-103
pubmed: 23087378
Database (Oxford). 2020 Jan 1;2020:
pubmed: 32761142
Nucleic Acids Res. 2023 Jan 6;51(D1):D523-D531
pubmed: 36408920
Nat Protoc. 2008;3(2):153-62
pubmed: 18274516
Bioinformatics. 2001 Jul;17(7):646-53
pubmed: 11448883
Bioinformatics. 2014 May 1;30(9):1236-40
pubmed: 24451626
Bioinformation. 2011;7(6):304-6
pubmed: 22355226
Bioinformatics. 2004 Sep 22;20(14):2162-8
pubmed: 14871873
Bioinformatics. 2005 Jan 1;21(1):10-9
pubmed: 15308540
Nat Commun. 2021 May 26;12(1):3168
pubmed: 34039967
J Mol Biol. 1982 May 5;157(1):105-32
pubmed: 7108955
Bioinformatics. 2006 Jul 15;22(14):1717-22
pubmed: 16672258
J Virol. 2021 Jul 26;95(16):e0085221
pubmed: 34076488
PLoS Pathog. 2015 Jul 02;11(7):e1004904
pubmed: 26135739
J Theor Biol. 2009 Feb 7;256(3):441-6
pubmed: 18996396
BMC Res Notes. 2017 Dec 6;10(1):706
pubmed: 29212526
Proteins. 1992 Apr;12(4):345-64
pubmed: 1579569
Bioinformatics. 2013 Oct 15;29(20):2588-95
pubmed: 23975762
Hum Genomics. 2010 Feb;4(3):207-12
pubmed: 20368142
Biopolymers. 2007 Feb 15;85(3):233-40
pubmed: 17120237
J Biomol NMR. 1996 Dec;8(4):477-86
pubmed: 9008363
J Mol Biol. 2001 Jan 19;305(3):567-80
pubmed: 11152613
Nucleic Acids Res. 2007 Jan;35(Database issue):D308-13
pubmed: 17098927
Bioinformatics. 2001 Sep;17(9):847-8
pubmed: 11590104
Nucleic Acids Res. 2007 Jul;35(Web Server issue):W433-7
pubmed: 17545200
Nucleic Acids Res. 2016 Jan 4;44(D1):D279-85
pubmed: 26673716
Nucleic Acids Res. 1998 Jan 1;26(1):320-2
pubmed: 9399864
Proc Natl Acad Sci U S A. 2005 Dec 20;102(51):18572-7
pubmed: 16339313
3 Biotech. 2015 Aug;5(4):561-576
pubmed: 28324558
Bacteriol Rev. 1973 Mar;37(1):1-18
pubmed: 4349404
Nucleic Acids Res. 2009 Jan;37(Database issue):D380-6
pubmed: 19036790
J Biol Chem. 2018 Jan 5;293(1):390-401
pubmed: 29123031
Nucleic Acids Res. 1999 Jan 1;27(1):260-2
pubmed: 9847196
PLoS One. 2019 Apr 17;14(4):e0214229
pubmed: 30995249
Anal Biochem. 1989 Nov 1;182(2):319-26
pubmed: 2610349
J Virol. 2007 Mar;81(5):2149-57
pubmed: 17166913
J Virol. 2016 Apr 29;90(10):5020-5030
pubmed: 26937025

Auteurs

Kajal Gupta (K)

Department of Biochemistry, Daulat Ram College, University of Delhi, Delhi, India. gupta.kajal49@gmail.com.

Classifications MeSH