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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: Khan, Md Tahsin, Islam, Rahatul, Jerin, Tarhima Jahan, Mahmud, Araf, Khatun, Sahara, Kobir, Ahasanul, Islam, Md Nahidul, Akter, Arzuba, Mondal, Shakhinur Islam
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Public Library of Science 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8211291/
https://www.ncbi.nlm.nih.gov/pubmed/34138958
http://dx.doi.org/10.1371/journal.pone.0253393
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author Khan, Md Tahsin
Islam, Rahatul
Jerin, Tarhima Jahan
Mahmud, Araf
Khatun, Sahara
Kobir, Ahasanul
Islam, Md Nahidul
Akter, Arzuba
Mondal, Shakhinur Islam
author_facet Khan, Md Tahsin
Islam, Rahatul
Jerin, Tarhima Jahan
Mahmud, Araf
Khatun, Sahara
Kobir, Ahasanul
Islam, Md Nahidul
Akter, Arzuba
Mondal, Shakhinur Islam
author_sort Khan, Md Tahsin
collection PubMed
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.
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spelling pubmed-82112912021-06-29 Immunoinformatics and molecular dynamics approaches: Next generation vaccine design against West Nile virus Khan, Md Tahsin Islam, Rahatul Jerin, Tarhima Jahan Mahmud, Araf Khatun, Sahara Kobir, Ahasanul Islam, Md Nahidul Akter, Arzuba Mondal, Shakhinur Islam PLoS One Research Article 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. Public Library of Science 2021-06-17 /pmc/articles/PMC8211291/ /pubmed/34138958 http://dx.doi.org/10.1371/journal.pone.0253393 Text en © 2021 Khan et al https://creativecommons.org/licenses/by/4.0/This is an open access article distributed under the terms of the Creative Commons Attribution License (https://creativecommons.org/licenses/by/4.0/) , which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.
spellingShingle Research Article
Khan, Md Tahsin
Islam, Rahatul
Jerin, Tarhima Jahan
Mahmud, Araf
Khatun, Sahara
Kobir, Ahasanul
Islam, Md Nahidul
Akter, Arzuba
Mondal, Shakhinur Islam
Immunoinformatics and molecular dynamics approaches: Next generation vaccine design against West Nile virus
title 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_short 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
topic Research Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8211291/
https://www.ncbi.nlm.nih.gov/pubmed/34138958
http://dx.doi.org/10.1371/journal.pone.0253393
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