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

Int J Mol Sci. 2022 Jul 12;23(14):7681. doi: 10.3390/ijms23147681.

Abstract

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.

Keywords: Rocio virus; antigenic epitopes; immunodiagnostics; linear B-cell epitope prediction; nonstructural protein.

MeSH terms

  • Animals
  • Flavivirus*
  • Immunologic Tests
  • Molecular Docking Simulation
  • Molecular Dynamics Simulation*
  • Peptides
  • Viral Nonstructural Proteins / chemistry

Substances

  • Peptides
  • Viral Nonstructural Proteins