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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Bibliographic Details
Published in:International journal of molecular sciences 2022-07, Vol.23 (14), p.7681
Main Authors: Saivish, Marielena Vogel, Menezes, Gabriela de Lima, Costa, Vivaldo Gomes da, Silva, Gislaine Celestino Dutra da, Marques, Rafael Elias, Nogueira, Maurício Lacerda, Silva, Roosevelt Alves Da
Format: Article
Language:English
Subjects:
Amino acids
Animals
antigenic epitopes
Antigens
Cluster analysis
Dengue fever
Diagnostic tests
Epidemiology
Flavivirus
immunodiagnostics
Immunologic Tests
linear B-cell epitope prediction
Molecular Docking Simulation
Molecular dynamics
Molecular Dynamics Simulation
Mosquitoes
nonstructural protein
NS1 protein
Peptides
Proteins
Rocio virus
Serology
Severe acute respiratory syndrome coronavirus 2
Simulation
Vector-borne diseases
Viral Nonstructural Proteins - chemistry
Viruses
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Summary: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.
ISSN:1422-0067
1661-6596
1422-0067
DOI:10.3390/ijms23147681