Immunoinformatics and molecular dynamics approaches: Next generation vaccine design against West Nile virus.

West Nile Virus (WNV) is a life threatening flavivirus that causes significant morbidity and mortality worldwide. No preventive therapeutics including vaccines against WNV are available for human use. In this study, immunoinformatics approach was performed to design a multi epitope-based subunit vac...

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Autores principales:	Md Tahsin Khan, Rahatul Islam, Tarhima Jahan Jerin, Araf Mahmud, Sahara Khatun, Ahasanul Kobir, Md Nahidul Islam, Arzuba Akter, Shakhinur Islam Mondal
Formato:	article
Lenguaje:	EN
Publicado:	Public Library of Science (PLoS) 2021
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/6a2848742a604fe2bd0a6184aaaa15b0
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spelling	oai:doaj.org-article:6a2848742a604fe2bd0a6184aaaa15b02021-12-02T20:10:25ZImmunoinformatics and molecular dynamics approaches: Next generation vaccine design against West Nile virus.1932-620310.1371/journal.pone.0253393https://doaj.org/article/6a2848742a604fe2bd0a6184aaaa15b02021-01-01T00:00:00Zhttps://doi.org/10.1371/journal.pone.0253393https://doaj.org/toc/1932-6203West Nile Virus (WNV) is a life threatening flavivirus that causes significant morbidity and mortality worldwide. No preventive therapeutics including vaccines against WNV are available for human use. In this study, immunoinformatics approach was performed to design a multi epitope-based subunit vaccine against this deadly pathogen. Human (HLA) and Mice (H-2) allele specific potential T-cell and B-cell epitopes were shortlisted through a stringent procedure. Molecular docking showed selected epitopes that have stronger binding affinity with human TLR-4. Molecular dynamics simulation confirmed the stable nature of the docked complex. Furthermore, in silico cloning analysis ensures efficient expression of desired gene in the microbial system. Interestingly, previous studies showed that two of our selected epitopes have strong immune response against WNV. Therefore, selected epitopes could be strong vaccine candidates to prevent WNV infections in human. However, further in vitro and in vivo investigations could be strengthening the validation of the vaccine candidate against WNV.Md Tahsin KhanRahatul IslamTarhima Jahan JerinAraf MahmudSahara KhatunAhasanul KobirMd Nahidul IslamArzuba AkterShakhinur Islam MondalPublic Library of Science (PLoS)articleMedicineRScienceQENPLoS ONE, Vol 16, Iss 6, p e0253393 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Md Tahsin Khan Rahatul Islam Tarhima Jahan Jerin Araf Mahmud Sahara Khatun Ahasanul Kobir Md Nahidul Islam Arzuba Akter Shakhinur Islam Mondal Immunoinformatics and molecular dynamics approaches: Next generation vaccine design against West Nile virus.
description	West Nile Virus (WNV) is a life threatening flavivirus that causes significant morbidity and mortality worldwide. No preventive therapeutics including vaccines against WNV are available for human use. In this study, immunoinformatics approach was performed to design a multi epitope-based subunit vaccine against this deadly pathogen. Human (HLA) and Mice (H-2) allele specific potential T-cell and B-cell epitopes were shortlisted through a stringent procedure. Molecular docking showed selected epitopes that have stronger binding affinity with human TLR-4. Molecular dynamics simulation confirmed the stable nature of the docked complex. Furthermore, in silico cloning analysis ensures efficient expression of desired gene in the microbial system. Interestingly, previous studies showed that two of our selected epitopes have strong immune response against WNV. Therefore, selected epitopes could be strong vaccine candidates to prevent WNV infections in human. However, further in vitro and in vivo investigations could be strengthening the validation of the vaccine candidate against WNV.
format	article
author	Md Tahsin Khan Rahatul Islam Tarhima Jahan Jerin Araf Mahmud Sahara Khatun Ahasanul Kobir Md Nahidul Islam Arzuba Akter Shakhinur Islam Mondal
author_facet	Md Tahsin Khan Rahatul Islam Tarhima Jahan Jerin Araf Mahmud Sahara Khatun Ahasanul Kobir Md Nahidul Islam Arzuba Akter Shakhinur Islam Mondal
author_sort	Md Tahsin Khan
title	Immunoinformatics and molecular dynamics approaches: Next generation vaccine design against West Nile virus.
title_short	Immunoinformatics and molecular dynamics approaches: Next generation vaccine design against West Nile virus.
title_full	Immunoinformatics and molecular dynamics approaches: Next generation vaccine design against West Nile virus.
title_fullStr	Immunoinformatics and molecular dynamics approaches: Next generation vaccine design against West Nile virus.
title_full_unstemmed	Immunoinformatics and molecular dynamics approaches: Next generation vaccine design against West Nile virus.
title_sort	immunoinformatics and molecular dynamics approaches: next generation vaccine design against west nile virus.
publisher	Public Library of Science (PLoS)
publishDate	2021
url	https://doaj.org/article/6a2848742a604fe2bd0a6184aaaa15b0
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Immunoinformatics and molecular dynamics approaches: Next generation vaccine design against West Nile virus.

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