Predicting Antigenic Peptides from Rocio Virus Nonstructural Protein 1 for Immunodiagnostic Testing Using Immunoinformatics and Molecular Dynamics Simulation

The Rocio virus (ROCV), a mosquito-borne flavivirus endemic to Brazil, poses a significant public health risk due to its potential to cause severe neurological diseases. Accurate and accessible diagnostic tools are essential for effective disease management and surveillance. This study used immunoinformatics and molecular dynamics simulations to identify antigenic peptides within the non-structural protein 1 (NS1) of ROCV, aiming to enhance immunodiagnostic testing. Through comprehensive in silico analyses, we pinpointed a specific peptide, designated p_ROCV2, located at amino acid positions 121–131 of the NS1 protein. This peptide exhibited high antigenicity, surface accessibility, and structural stability, indicating its potential to interact effectively with antibodies. Our findings suggest that p_ROCV2 is a promising candidate for developing serological assays to detect ROCV infections, offering a pathway toward improved diagnostic platforms and contributing to better epidemiological monitoring of this neglected virus.