Cargando…
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...
Autores principales: | , , , , , , |
---|---|
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 |
_version_ | 1784756214396092416 |
---|---|
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. |
format | Online Article Text |
id | pubmed-9322101 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT saivishmarielenavogel predictingantigenicpeptidesfromrociovirusns1proteinforimmunodiagnostictestingusingimmunoinformaticsandmoleculardynamicssimulation AT menezesgabrieladelima predictingantigenicpeptidesfromrociovirusns1proteinforimmunodiagnostictestingusingimmunoinformaticsandmoleculardynamicssimulation AT dacostavivaldogomes predictingantigenicpeptidesfromrociovirusns1proteinforimmunodiagnostictestingusingimmunoinformaticsandmoleculardynamicssimulation AT dasilvagislainecelestinodutra predictingantigenicpeptidesfromrociovirusns1proteinforimmunodiagnostictestingusingimmunoinformaticsandmoleculardynamicssimulation AT marquesrafaelelias predictingantigenicpeptidesfromrociovirusns1proteinforimmunodiagnostictestingusingimmunoinformaticsandmoleculardynamicssimulation AT nogueiramauriciolacerda predictingantigenicpeptidesfromrociovirusns1proteinforimmunodiagnostictestingusingimmunoinformaticsandmoleculardynamicssimulation AT silvarooseveltalvesda predictingantigenicpeptidesfromrociovirusns1proteinforimmunodiagnostictestingusingimmunoinformaticsandmoleculardynamicssimulation |