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Predicting Antigenic Peptides from Rocio Virus NS1 Protein for Immunodiagnostic Testing Using Immunoinformatics and Molecular Dynamics Simulation

The mosquito-borne disease caused by the Rocio virus is a neglected threat, and new immune inputs for serological testing are urgently required for diagnosis in low-resource settings and epidemiological surveillance. We used in silico approaches to identify a specific antigenic peptide (p_ROCV2) in...

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Autores principales: Saivish, Marielena Vogel, Menezes, Gabriela de Lima, da Costa, Vivaldo Gomes, da Silva, Gislaine Celestino Dutra, Marques, Rafael Elias, Nogueira, Maurício Lacerda, Silva, Roosevelt Alves Da
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9322101/
https://www.ncbi.nlm.nih.gov/pubmed/35887029
http://dx.doi.org/10.3390/ijms23147681
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author Saivish, Marielena Vogel
Menezes, Gabriela de Lima
da Costa, Vivaldo Gomes
da Silva, Gislaine Celestino Dutra
Marques, Rafael Elias
Nogueira, Maurício Lacerda
Silva, Roosevelt Alves Da
author_facet Saivish, Marielena Vogel
Menezes, Gabriela de Lima
da Costa, Vivaldo Gomes
da Silva, Gislaine Celestino Dutra
Marques, Rafael Elias
Nogueira, Maurício Lacerda
Silva, Roosevelt Alves Da
author_sort Saivish, Marielena Vogel
collection PubMed
description The mosquito-borne disease caused by the Rocio virus is a neglected threat, and new immune inputs for serological testing are urgently required for diagnosis in low-resource settings and epidemiological surveillance. We used in silico approaches to identify a specific antigenic peptide (p_ROCV2) in the NS1 protein of the Rocio virus that was theoretically predicted to be stable and exposed on its surface, where it demonstrated key properties allowing it to interact with antibodies. These findings related to the molecular dynamics of this peptide provide important insights for advancing diagnostic platforms and investigating therapeutic alternatives.
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spelling pubmed-93221012022-07-27 Predicting Antigenic Peptides from Rocio Virus NS1 Protein for Immunodiagnostic Testing Using Immunoinformatics and Molecular Dynamics Simulation Saivish, Marielena Vogel Menezes, Gabriela de Lima da Costa, Vivaldo Gomes da Silva, Gislaine Celestino Dutra Marques, Rafael Elias Nogueira, Maurício Lacerda Silva, Roosevelt Alves Da Int J Mol Sci Article The mosquito-borne disease caused by the Rocio virus is a neglected threat, and new immune inputs for serological testing are urgently required for diagnosis in low-resource settings and epidemiological surveillance. We used in silico approaches to identify a specific antigenic peptide (p_ROCV2) in the NS1 protein of the Rocio virus that was theoretically predicted to be stable and exposed on its surface, where it demonstrated key properties allowing it to interact with antibodies. These findings related to the molecular dynamics of this peptide provide important insights for advancing diagnostic platforms and investigating therapeutic alternatives. MDPI 2022-07-12 /pmc/articles/PMC9322101/ /pubmed/35887029 http://dx.doi.org/10.3390/ijms23147681 Text en © 2022 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
Saivish, Marielena Vogel
Menezes, Gabriela de Lima
da Costa, Vivaldo Gomes
da Silva, Gislaine Celestino Dutra
Marques, Rafael Elias
Nogueira, Maurício Lacerda
Silva, Roosevelt Alves Da
Predicting Antigenic Peptides from Rocio Virus NS1 Protein for Immunodiagnostic Testing Using Immunoinformatics and Molecular Dynamics Simulation
title Predicting Antigenic Peptides from Rocio Virus NS1 Protein for Immunodiagnostic Testing Using Immunoinformatics and Molecular Dynamics Simulation
title_full Predicting Antigenic Peptides from Rocio Virus NS1 Protein for Immunodiagnostic Testing Using Immunoinformatics and Molecular Dynamics Simulation
title_fullStr Predicting Antigenic Peptides from Rocio Virus NS1 Protein for Immunodiagnostic Testing Using Immunoinformatics and Molecular Dynamics Simulation
title_full_unstemmed Predicting Antigenic Peptides from Rocio Virus NS1 Protein for Immunodiagnostic Testing Using Immunoinformatics and Molecular Dynamics Simulation
title_short Predicting Antigenic Peptides from Rocio Virus NS1 Protein for Immunodiagnostic Testing Using Immunoinformatics and Molecular Dynamics Simulation
title_sort predicting antigenic peptides from rocio virus ns1 protein for immunodiagnostic testing using immunoinformatics and molecular dynamics simulation
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9322101/
https://www.ncbi.nlm.nih.gov/pubmed/35887029
http://dx.doi.org/10.3390/ijms23147681
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