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Proteome Based Approach Defines Candidates for Designing a Multitope Vaccine against the Nipah Virus

Nipah virus is one of the most harmful emerging viruses with deadly effects on both humans and animals. Because of the severe outbreaks, in 2018, the World Health Organization focused on the urgent need for the development of effective solutions against the virus. However, up to date, there is no ef...

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Autores principales: Soltan, Mohamed A., Eldeen, Muhammad Alaa, Elbassiouny, Nada, Mohamed, Ibrahim, El-damasy, Dalia A., Fayad, Eman, Abu Ali, Ola A., Raafat, Nermin, Eid, Refaat A., Al-Karmalawy, Ahmed A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8431361/
https://www.ncbi.nlm.nih.gov/pubmed/34502239
http://dx.doi.org/10.3390/ijms22179330
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author Soltan, Mohamed A.
Eldeen, Muhammad Alaa
Elbassiouny, Nada
Mohamed, Ibrahim
El-damasy, Dalia A.
Fayad, Eman
Abu Ali, Ola A.
Raafat, Nermin
Eid, Refaat A.
Al-Karmalawy, Ahmed A.
author_facet Soltan, Mohamed A.
Eldeen, Muhammad Alaa
Elbassiouny, Nada
Mohamed, Ibrahim
El-damasy, Dalia A.
Fayad, Eman
Abu Ali, Ola A.
Raafat, Nermin
Eid, Refaat A.
Al-Karmalawy, Ahmed A.
author_sort Soltan, Mohamed A.
collection PubMed
description Nipah virus is one of the most harmful emerging viruses with deadly effects on both humans and animals. Because of the severe outbreaks, in 2018, the World Health Organization focused on the urgent need for the development of effective solutions against the virus. However, up to date, there is no effective vaccine against the Nipah virus in the market. In the current study, the complete proteome of the Nipah virus (nine proteins) was analyzed for the antigenicity score and the virulence role of each protein, where we came up with fusion glycoprotein (F), glycoprotein (G), protein (V), and protein (W) as the candidates for epitope prediction. Following that, the multitope vaccine was designed based on top-ranking CTL, HTL, and BCL epitopes from the selected proteins. We used suitable linkers, adjuvant, and PADRE peptides to finalize the constructed vaccine, which was analyzed for its physicochemical features, antigenicity, toxicity, allergenicity, and solubility. The designed vaccine passed these assessments through computational analysis and, as a final step, we ran a docking analysis between the designed vaccine and TLR-(3) and validated the docked complex through molecular dynamics simulation, which estimated a strong binding and supported the nomination of the designed vaccine as a putative solution for Nipah virus. Here, we describe the computational approach for design and analysis of this vaccine.
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spelling pubmed-84313612021-09-11 Proteome Based Approach Defines Candidates for Designing a Multitope Vaccine against the Nipah Virus Soltan, Mohamed A. Eldeen, Muhammad Alaa Elbassiouny, Nada Mohamed, Ibrahim El-damasy, Dalia A. Fayad, Eman Abu Ali, Ola A. Raafat, Nermin Eid, Refaat A. Al-Karmalawy, Ahmed A. Int J Mol Sci Article Nipah virus is one of the most harmful emerging viruses with deadly effects on both humans and animals. Because of the severe outbreaks, in 2018, the World Health Organization focused on the urgent need for the development of effective solutions against the virus. However, up to date, there is no effective vaccine against the Nipah virus in the market. In the current study, the complete proteome of the Nipah virus (nine proteins) was analyzed for the antigenicity score and the virulence role of each protein, where we came up with fusion glycoprotein (F), glycoprotein (G), protein (V), and protein (W) as the candidates for epitope prediction. Following that, the multitope vaccine was designed based on top-ranking CTL, HTL, and BCL epitopes from the selected proteins. We used suitable linkers, adjuvant, and PADRE peptides to finalize the constructed vaccine, which was analyzed for its physicochemical features, antigenicity, toxicity, allergenicity, and solubility. The designed vaccine passed these assessments through computational analysis and, as a final step, we ran a docking analysis between the designed vaccine and TLR-(3) and validated the docked complex through molecular dynamics simulation, which estimated a strong binding and supported the nomination of the designed vaccine as a putative solution for Nipah virus. Here, we describe the computational approach for design and analysis of this vaccine. MDPI 2021-08-28 /pmc/articles/PMC8431361/ /pubmed/34502239 http://dx.doi.org/10.3390/ijms22179330 Text en © 2021 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Soltan, Mohamed A.
Eldeen, Muhammad Alaa
Elbassiouny, Nada
Mohamed, Ibrahim
El-damasy, Dalia A.
Fayad, Eman
Abu Ali, Ola A.
Raafat, Nermin
Eid, Refaat A.
Al-Karmalawy, Ahmed A.
Proteome Based Approach Defines Candidates for Designing a Multitope Vaccine against the Nipah Virus
title Proteome Based Approach Defines Candidates for Designing a Multitope Vaccine against the Nipah Virus
title_full Proteome Based Approach Defines Candidates for Designing a Multitope Vaccine against the Nipah Virus
title_fullStr Proteome Based Approach Defines Candidates for Designing a Multitope Vaccine against the Nipah Virus
title_full_unstemmed Proteome Based Approach Defines Candidates for Designing a Multitope Vaccine against the Nipah Virus
title_short Proteome Based Approach Defines Candidates for Designing a Multitope Vaccine against the Nipah Virus
title_sort proteome based approach defines candidates for designing a multitope vaccine against the nipah virus
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8431361/
https://www.ncbi.nlm.nih.gov/pubmed/34502239
http://dx.doi.org/10.3390/ijms22179330
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