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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...
Autores principales: | , , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Public Library of Science
2021
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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. |
format | Online Article Text |
id | pubmed-8211291 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | Public Library of Science |
record_format | MEDLINE/PubMed |
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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