Molecular insights into the Y-domain of hepatitis E virus using computational analyses

Abstract Background Hepatitis E virus (HEV) of the family Hepeviridae is a major causative agent of acute hepatitis in developing countries. The Y-domain is derived from multi-domain non-structural polyprotein encoded by open reading frame 1 (ORF1). Previous studies have demonstrated the essentialit...

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Autores principales:	Zoya Shafat, Abu Hamza, Farah Deeba, Mohammad K. Parvez, Shama Parveen
Formato:	article
Lenguaje:	EN
Publicado:	SpringerOpen 2021
Materias:	Hepatitis E virus (HEV) Open reading frame 1 (ORF1) Y-domain Homology modelling Gene ontology Functional characterization Medicine (General) R5-920 Science Q
Acceso en línea:	https://doaj.org/article/23ae9fc919594e7a89293e8099c5b1df
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spelling	oai:doaj.org-article:23ae9fc919594e7a89293e8099c5b1df2021-11-08T10:59:10ZMolecular insights into the Y-domain of hepatitis E virus using computational analyses10.1186/s43088-021-00154-32314-8543https://doaj.org/article/23ae9fc919594e7a89293e8099c5b1df2021-11-01T00:00:00Zhttps://doi.org/10.1186/s43088-021-00154-3https://doaj.org/toc/2314-8543Abstract Background Hepatitis E virus (HEV) of the family Hepeviridae is a major causative agent of acute hepatitis in developing countries. The Y-domain is derived from multi-domain non-structural polyprotein encoded by open reading frame 1 (ORF1). Previous studies have demonstrated the essentiality of Y-domain sequences in HEV life cycle; however, its function remains completely unexplored. The following study was thus conceptualized to examine the detailed computational investigation for the putative Y-domain to estimate its phylogenetic assessment, physiochemical properties, structural and functional characteristics using in silico analyses. Results The phylogenetic assessment of Y-domain with a vast range of hosts indicated that the protein was very well conserved throughout the course of evolution. The Y-domain was found to be unstable, hydrophilic and basic in nature with high thermostability value. Structural analysis of Y-domain revealed mixed α/β structural fold of the protein having higher percentage of alpha-helices. The three-dimensional (3D) protein model generated through homology modelling revealed the presence of clefts, tunnels and pore. Gene ontology analysis predicted Y-domain protein’s involvement in several binding and catalytic activities as well as significant biological processes. Mutations in the conserved amino acids of the Y-domain suggested that it may stabilize or de-stabilize the protein structure that might affect its structure–function relationship. Conclusions This theoretical study will facilitate towards deciphering the role of unexplored Y-domain, thereby providing better understanding towards the pathogenesis of HEV infection.Zoya ShafatAbu HamzaFarah DeebaMohammad K. ParvezShama ParveenSpringerOpenarticleHepatitis E virus (HEV)Open reading frame 1 (ORF1)Y-domainHomology modellingGene ontologyFunctional characterizationMedicine (General)R5-920ScienceQENBeni-Suef University Journal of Basic and Applied Sciences, Vol 10, Iss 1, Pp 1-14 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Hepatitis E virus (HEV) Open reading frame 1 (ORF1) Y-domain Homology modelling Gene ontology Functional characterization Medicine (General) R5-920 Science Q
spellingShingle	Hepatitis E virus (HEV) Open reading frame 1 (ORF1) Y-domain Homology modelling Gene ontology Functional characterization Medicine (General) R5-920 Science Q Zoya Shafat Abu Hamza Farah Deeba Mohammad K. Parvez Shama Parveen Molecular insights into the Y-domain of hepatitis E virus using computational analyses
description	Abstract Background Hepatitis E virus (HEV) of the family Hepeviridae is a major causative agent of acute hepatitis in developing countries. The Y-domain is derived from multi-domain non-structural polyprotein encoded by open reading frame 1 (ORF1). Previous studies have demonstrated the essentiality of Y-domain sequences in HEV life cycle; however, its function remains completely unexplored. The following study was thus conceptualized to examine the detailed computational investigation for the putative Y-domain to estimate its phylogenetic assessment, physiochemical properties, structural and functional characteristics using in silico analyses. Results The phylogenetic assessment of Y-domain with a vast range of hosts indicated that the protein was very well conserved throughout the course of evolution. The Y-domain was found to be unstable, hydrophilic and basic in nature with high thermostability value. Structural analysis of Y-domain revealed mixed α/β structural fold of the protein having higher percentage of alpha-helices. The three-dimensional (3D) protein model generated through homology modelling revealed the presence of clefts, tunnels and pore. Gene ontology analysis predicted Y-domain protein’s involvement in several binding and catalytic activities as well as significant biological processes. Mutations in the conserved amino acids of the Y-domain suggested that it may stabilize or de-stabilize the protein structure that might affect its structure–function relationship. Conclusions This theoretical study will facilitate towards deciphering the role of unexplored Y-domain, thereby providing better understanding towards the pathogenesis of HEV infection.
format	article
author	Zoya Shafat Abu Hamza Farah Deeba Mohammad K. Parvez Shama Parveen
author_facet	Zoya Shafat Abu Hamza Farah Deeba Mohammad K. Parvez Shama Parveen
author_sort	Zoya Shafat
title	Molecular insights into the Y-domain of hepatitis E virus using computational analyses
title_short	Molecular insights into the Y-domain of hepatitis E virus using computational analyses
title_full	Molecular insights into the Y-domain of hepatitis E virus using computational analyses
title_fullStr	Molecular insights into the Y-domain of hepatitis E virus using computational analyses
title_full_unstemmed	Molecular insights into the Y-domain of hepatitis E virus using computational analyses
title_sort	molecular insights into the y-domain of hepatitis e virus using computational analyses
publisher	SpringerOpen
publishDate	2021
url	https://doaj.org/article/23ae9fc919594e7a89293e8099c5b1df
work_keys_str_mv	AT zoyashafat molecularinsightsintotheydomainofhepatitisevirususingcomputationalanalyses AT abuhamza molecularinsightsintotheydomainofhepatitisevirususingcomputationalanalyses AT farahdeeba molecularinsightsintotheydomainofhepatitisevirususingcomputationalanalyses AT mohammadkparvez molecularinsightsintotheydomainofhepatitisevirususingcomputationalanalyses AT shamaparveen molecularinsightsintotheydomainofhepatitisevirususingcomputationalanalyses
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Molecular insights into the Y-domain of hepatitis E virus using computational analyses

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