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In silico structural and functional characterization of hypothetical proteins from Monkeypox virus
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 Zair...
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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Springer Berlin Heidelberg
2023
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10133424/ https://www.ncbi.nlm.nih.gov/pubmed/37099065 http://dx.doi.org/10.1186/s43141-023-00505-w |
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author | Gupta, Kajal |
author_facet | Gupta, Kajal |
author_sort | Gupta, Kajal |
collection | PubMed |
description | 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: 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: 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. SUPPLEMENTARY INFORMATION: The online version contains supplementary material available at 10.1186/s43141-023-00505-w. |
format | Online Article Text |
id | pubmed-10133424 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | Springer Berlin Heidelberg |
record_format | MEDLINE/PubMed |
spelling | pubmed-101334242023-04-28 In silico structural and functional characterization of hypothetical proteins from Monkeypox virus Gupta, Kajal J Genet Eng Biotechnol Research 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: 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: 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. SUPPLEMENTARY INFORMATION: The online version contains supplementary material available at 10.1186/s43141-023-00505-w. Springer Berlin Heidelberg 2023-04-26 /pmc/articles/PMC10133424/ /pubmed/37099065 http://dx.doi.org/10.1186/s43141-023-00505-w Text en © The Author(s) 2023, corrected publication 2023 https://creativecommons.org/licenses/by/4.0/Open AccessThis article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) . |
spellingShingle | Research Gupta, Kajal In silico structural and functional characterization of hypothetical proteins from Monkeypox virus |
title | In silico structural and functional characterization of hypothetical proteins from Monkeypox virus |
title_full | In silico structural and functional characterization of hypothetical proteins from Monkeypox virus |
title_fullStr | In silico structural and functional characterization of hypothetical proteins from Monkeypox virus |
title_full_unstemmed | In silico structural and functional characterization of hypothetical proteins from Monkeypox virus |
title_short | In silico structural and functional characterization of hypothetical proteins from Monkeypox virus |
title_sort | in silico structural and functional characterization of hypothetical proteins from monkeypox virus |
topic | Research |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10133424/ https://www.ncbi.nlm.nih.gov/pubmed/37099065 http://dx.doi.org/10.1186/s43141-023-00505-w |
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