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In silico design of refined ferritin-SARS-CoV-2 glyco-RBD nanoparticle vaccine

With the onset of Coronavirus disease 2019 (COVID-19) pandemic, all attention was drawn to finding solutions to cure the coronavirus disease. Among all vaccination strategies, the nanoparticle vaccine has been shown to stimulate the immune system and provide optimal immunity to the virus in a single...

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Autores principales: Masoomi Nomandan, Seyedeh Zeinab, Azimzadeh Irani, Maryam, Hosseini, Seyed Masoud
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9486171/
https://www.ncbi.nlm.nih.gov/pubmed/36148012
http://dx.doi.org/10.3389/fmolb.2022.976490
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author Masoomi Nomandan, Seyedeh Zeinab
Azimzadeh Irani, Maryam
Hosseini, Seyed Masoud
author_facet Masoomi Nomandan, Seyedeh Zeinab
Azimzadeh Irani, Maryam
Hosseini, Seyed Masoud
author_sort Masoomi Nomandan, Seyedeh Zeinab
collection PubMed
description With the onset of Coronavirus disease 2019 (COVID-19) pandemic, all attention was drawn to finding solutions to cure the coronavirus disease. Among all vaccination strategies, the nanoparticle vaccine has been shown to stimulate the immune system and provide optimal immunity to the virus in a single dose. Ferritin is a reliable self-assembled nanoparticle platform for vaccine production that has already been used in experimental studies. Furthermore, glycosylation plays a crucial role in the design of antibodies and vaccines and is an essential element in developing effective subunit vaccines. In this computational study, ferritin nanoparticles and glycosylation, which are two unique facets of vaccine design, were used to model improved nanoparticle vaccines for the first time. In this regard, molecular modeling and molecular dynamics simulation were carried out to construct three atomistic models of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) receptor binding domain (RBD)-ferritin nanoparticle vaccine, including unglycosylated, glycosylated, and modified with additional O-glycans at the ferritin–RBD interface. It was shown that the ferritin–RBD complex becomes more stable when glycans are added to the ferritin–RBD interface and optimal performance of this nanoparticle can be achieved. If validated experimentally, these findings could improve the design of nanoparticles against all microbial infections.
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spelling pubmed-94861712022-09-21 In silico design of refined ferritin-SARS-CoV-2 glyco-RBD nanoparticle vaccine Masoomi Nomandan, Seyedeh Zeinab Azimzadeh Irani, Maryam Hosseini, Seyed Masoud Front Mol Biosci Molecular Biosciences With the onset of Coronavirus disease 2019 (COVID-19) pandemic, all attention was drawn to finding solutions to cure the coronavirus disease. Among all vaccination strategies, the nanoparticle vaccine has been shown to stimulate the immune system and provide optimal immunity to the virus in a single dose. Ferritin is a reliable self-assembled nanoparticle platform for vaccine production that has already been used in experimental studies. Furthermore, glycosylation plays a crucial role in the design of antibodies and vaccines and is an essential element in developing effective subunit vaccines. In this computational study, ferritin nanoparticles and glycosylation, which are two unique facets of vaccine design, were used to model improved nanoparticle vaccines for the first time. In this regard, molecular modeling and molecular dynamics simulation were carried out to construct three atomistic models of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) receptor binding domain (RBD)-ferritin nanoparticle vaccine, including unglycosylated, glycosylated, and modified with additional O-glycans at the ferritin–RBD interface. It was shown that the ferritin–RBD complex becomes more stable when glycans are added to the ferritin–RBD interface and optimal performance of this nanoparticle can be achieved. If validated experimentally, these findings could improve the design of nanoparticles against all microbial infections. Frontiers Media S.A. 2022-09-06 /pmc/articles/PMC9486171/ /pubmed/36148012 http://dx.doi.org/10.3389/fmolb.2022.976490 Text en Copyright © 2022 Masoomi Nomandan, Azimzadeh Irani and Hosseini. https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.
spellingShingle Molecular Biosciences
Masoomi Nomandan, Seyedeh Zeinab
Azimzadeh Irani, Maryam
Hosseini, Seyed Masoud
In silico design of refined ferritin-SARS-CoV-2 glyco-RBD nanoparticle vaccine
title In silico design of refined ferritin-SARS-CoV-2 glyco-RBD nanoparticle vaccine
title_full In silico design of refined ferritin-SARS-CoV-2 glyco-RBD nanoparticle vaccine
title_fullStr In silico design of refined ferritin-SARS-CoV-2 glyco-RBD nanoparticle vaccine
title_full_unstemmed In silico design of refined ferritin-SARS-CoV-2 glyco-RBD nanoparticle vaccine
title_short In silico design of refined ferritin-SARS-CoV-2 glyco-RBD nanoparticle vaccine
title_sort in silico design of refined ferritin-sars-cov-2 glyco-rbd nanoparticle vaccine
topic Molecular Biosciences
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9486171/
https://www.ncbi.nlm.nih.gov/pubmed/36148012
http://dx.doi.org/10.3389/fmolb.2022.976490
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