Computational method for designing vaccines applied to virus-like particles (VLPs) as epitope carriers

Autores
Prosper, Pascalita; Rodríguez Puertas, Rafael; Guérin, Diego M. A.; Branda, Maria Marta
Año de publicación
2024
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Nonenveloped virus-like particles (VLPs) are self-assembled oligomeric structures composed of one or more proteins that originate from diverse viruses. Because these VLPs have similar antigenicity to the parental virus, they are successfully used as vaccines against cognate virus infection. Furthermore, after foreign antigenic sequences are inserted in their protein components (chimVLPs), some VLPs are also amenable to producing vaccines against pathogens other than the virus it originates from (these VLPs are named platform or epitope Carrier). Designing chimVLP vaccines is challenging because the immunogenic response must be oriented against a givenantigen without altering stimulant properties inherent to the VLP. An important step in this process is choosing the location of the sequence modifications because this must be performed without compromising the assembly and stability of the original VLP. Currently, many immunogenic data and computational tools can help guide the design of chimVLPs, thus reducing experimental costs and work. In this study, we analyze the structure of a novel VLP that originate from an insect virus and describe the putative regions of its three structural proteins amenable to insertion. For this purpose, we employed molecular dynamics (MD) simulations to assess chimVLP stability bycomparing mutated and wild-type (WT) VLP protein trajectories. We applied this procedure to design a chimVLP that can serve as a prophylactic vaccine against the SARS-CoV-2 virus. The methodology described in this work is generally aplicable for VLP-based vaccine development.
Fil: Prosper, Pascalita. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich". Universidad Nacional de San Luis. Facultad de Ciencias Físico Matemáticas y Naturales. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich"; Argentina
Fil: Rodríguez Puertas, Rafael. Universidad del País Vasco; España
Fil: Guérin, Diego M. A.. Universidad del País Vasco; España
Fil: Branda, Maria Marta. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich". Universidad Nacional de San Luis. Facultad de Ciencias Físico Matemáticas y Naturales. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich"; Argentina
Materia
VLPs
Vaccine design
Molecular Dynamics
Immunoinformatics
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/257389
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/257389
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Computational method for designing vaccines applied to virus-like particles (VLPs) as epitope carriersProsper, PascalitaRodríguez Puertas, RafaelGuérin, Diego M. A.Branda, Maria MartaVLPsVaccine designMolecular DynamicsImmunoinformaticshttps://purl.org/becyt/ford/1.6https://purl.org/becyt/ford/1Nonenveloped virus-like particles (VLPs) are self-assembled oligomeric structures composed of one or more proteins that originate from diverse viruses. Because these VLPs have similar antigenicity to the parental virus, they are successfully used as vaccines against cognate virus infection. Furthermore, after foreign antigenic sequences are inserted in their protein components (chimVLPs), some VLPs are also amenable to producing vaccines against pathogens other than the virus it originates from (these VLPs are named platform or epitope Carrier). Designing chimVLP vaccines is challenging because the immunogenic response must be oriented against a givenantigen without altering stimulant properties inherent to the VLP. An important step in this process is choosing the location of the sequence modifications because this must be performed without compromising the assembly and stability of the original VLP. Currently, many immunogenic data and computational tools can help guide the design of chimVLPs, thus reducing experimental costs and work. In this study, we analyze the structure of a novel VLP that originate from an insect virus and describe the putative regions of its three structural proteins amenable to insertion. For this purpose, we employed molecular dynamics (MD) simulations to assess chimVLP stability bycomparing mutated and wild-type (WT) VLP protein trajectories. We applied this procedure to design a chimVLP that can serve as a prophylactic vaccine against the SARS-CoV-2 virus. The methodology described in this work is generally aplicable for VLP-based vaccine development.Fil: Prosper, Pascalita. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich". Universidad Nacional de San Luis. Facultad de Ciencias Físico Matemáticas y Naturales. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich"; ArgentinaFil: Rodríguez Puertas, Rafael. Universidad del País Vasco; EspañaFil: Guérin, Diego M. A.. Universidad del País Vasco; EspañaFil: Branda, Maria Marta. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich". Universidad Nacional de San Luis. Facultad de Ciencias Físico Matemáticas y Naturales. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich"; ArgentinaElsevier2024-07info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/257389Prosper, Pascalita; Rodríguez Puertas, Rafael; Guérin, Diego M. A.; Branda, Maria Marta; Computational method for designing vaccines applied to virus-like particles (VLPs) as epitope carriers; Elsevier; Vaccine; 42; 18; 7-2024; 3916-39290264-410XCONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://linkinghub.elsevier.com/retrieve/pii/S0264410X2400584Xinfo:eu-repo/semantics/altIdentifier/doi/10.1016/j.vaccine.2024.05.025info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-nd/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-12-23T14:44:10Zoai:ri.conicet.gov.ar:11336/257389instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-12-23 14:44:10.482CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Computational method for designing vaccines applied to virus-like particles (VLPs) as epitope carriers
title Computational method for designing vaccines applied to virus-like particles (VLPs) as epitope carriers
spellingShingle Computational method for designing vaccines applied to virus-like particles (VLPs) as epitope carriers
Prosper, Pascalita
VLPs
Vaccine design
Molecular Dynamics
Immunoinformatics
title_short Computational method for designing vaccines applied to virus-like particles (VLPs) as epitope carriers
title_full Computational method for designing vaccines applied to virus-like particles (VLPs) as epitope carriers
title_fullStr Computational method for designing vaccines applied to virus-like particles (VLPs) as epitope carriers
title_full_unstemmed Computational method for designing vaccines applied to virus-like particles (VLPs) as epitope carriers
title_sort Computational method for designing vaccines applied to virus-like particles (VLPs) as epitope carriers
dc.creator.none.fl_str_mv Prosper, Pascalita
Rodríguez Puertas, Rafael
Guérin, Diego M. A.
Branda, Maria Marta
author Prosper, Pascalita
author_facet Prosper, Pascalita
Rodríguez Puertas, Rafael
Guérin, Diego M. A.
Branda, Maria Marta
author_role author
author2 Rodríguez Puertas, Rafael
Guérin, Diego M. A.
Branda, Maria Marta
author2_role author
author
author
dc.subject.none.fl_str_mv VLPs
Vaccine design
Molecular Dynamics
Immunoinformatics
topic VLPs
Vaccine design
Molecular Dynamics
Immunoinformatics
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.6
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv Nonenveloped virus-like particles (VLPs) are self-assembled oligomeric structures composed of one or more proteins that originate from diverse viruses. Because these VLPs have similar antigenicity to the parental virus, they are successfully used as vaccines against cognate virus infection. Furthermore, after foreign antigenic sequences are inserted in their protein components (chimVLPs), some VLPs are also amenable to producing vaccines against pathogens other than the virus it originates from (these VLPs are named platform or epitope Carrier). Designing chimVLP vaccines is challenging because the immunogenic response must be oriented against a givenantigen without altering stimulant properties inherent to the VLP. An important step in this process is choosing the location of the sequence modifications because this must be performed without compromising the assembly and stability of the original VLP. Currently, many immunogenic data and computational tools can help guide the design of chimVLPs, thus reducing experimental costs and work. In this study, we analyze the structure of a novel VLP that originate from an insect virus and describe the putative regions of its three structural proteins amenable to insertion. For this purpose, we employed molecular dynamics (MD) simulations to assess chimVLP stability bycomparing mutated and wild-type (WT) VLP protein trajectories. We applied this procedure to design a chimVLP that can serve as a prophylactic vaccine against the SARS-CoV-2 virus. The methodology described in this work is generally aplicable for VLP-based vaccine development.
Fil: Prosper, Pascalita. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich". Universidad Nacional de San Luis. Facultad de Ciencias Físico Matemáticas y Naturales. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich"; Argentina
Fil: Rodríguez Puertas, Rafael. Universidad del País Vasco; España
Fil: Guérin, Diego M. A.. Universidad del País Vasco; España
Fil: Branda, Maria Marta. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich". Universidad Nacional de San Luis. Facultad de Ciencias Físico Matemáticas y Naturales. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich"; Argentina
description Nonenveloped virus-like particles (VLPs) are self-assembled oligomeric structures composed of one or more proteins that originate from diverse viruses. Because these VLPs have similar antigenicity to the parental virus, they are successfully used as vaccines against cognate virus infection. Furthermore, after foreign antigenic sequences are inserted in their protein components (chimVLPs), some VLPs are also amenable to producing vaccines against pathogens other than the virus it originates from (these VLPs are named platform or epitope Carrier). Designing chimVLP vaccines is challenging because the immunogenic response must be oriented against a givenantigen without altering stimulant properties inherent to the VLP. An important step in this process is choosing the location of the sequence modifications because this must be performed without compromising the assembly and stability of the original VLP. Currently, many immunogenic data and computational tools can help guide the design of chimVLPs, thus reducing experimental costs and work. In this study, we analyze the structure of a novel VLP that originate from an insect virus and describe the putative regions of its three structural proteins amenable to insertion. For this purpose, we employed molecular dynamics (MD) simulations to assess chimVLP stability bycomparing mutated and wild-type (WT) VLP protein trajectories. We applied this procedure to design a chimVLP that can serve as a prophylactic vaccine against the SARS-CoV-2 virus. The methodology described in this work is generally aplicable for VLP-based vaccine development.
publishDate 2024
dc.date.none.fl_str_mv 2024-07
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/257389
Prosper, Pascalita; Rodríguez Puertas, Rafael; Guérin, Diego M. A.; Branda, Maria Marta; Computational method for designing vaccines applied to virus-like particles (VLPs) as epitope carriers; Elsevier; Vaccine; 42; 18; 7-2024; 3916-3929
0264-410X
CONICET Digital
CONICET
url http://hdl.handle.net/11336/257389
identifier_str_mv Prosper, Pascalita; Rodríguez Puertas, Rafael; Guérin, Diego M. A.; Branda, Maria Marta; Computational method for designing vaccines applied to virus-like particles (VLPs) as epitope carriers; Elsevier; Vaccine; 42; 18; 7-2024; 3916-3929
0264-410X
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/https://linkinghub.elsevier.com/retrieve/pii/S0264410X2400584X
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.vaccine.2024.05.025
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv Elsevier
publisher.none.fl_str_mv Elsevier
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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score 12.952241

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