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Prediction of MAYV peptide antigens for immunodiagnostic tests by immunoinformatics and molecular dynamics

Roger Luiz Rodrigues1, Gabriela De Lima Menezes2, Marielena Vogel Saivish1

  • 1Universidade Federal de Goiás, Laboratório de Virologia, Jataí, GO, 75801-615, Brazil.

Scientific Reports
|September 19, 2019
PubMed

Insights

Researchers identified a specific epitope (p_MAYV4) on the Mayaro virus, crucial for potential immunodiagnostic tools. Structural analysis also revealed a key residue (PHE95) vital for virus stability, aiding therapeutic development.

Area of Science:

  • Virology
  • Structural Biology
  • Immunology

Background:

  • Mayaro virus (MAYV) is endemic to South America, causing Mayaro fever, a debilitating illness similar to chikungunya.
  • The potential for large outbreaks is amplified by Aedes mosquito transmission and the lack of specific treatments.
  • Cocirculation with similar viruses necessitates deeper understanding and development of diagnostic and therapeutic strategies.

Purpose of the Study:

  • To identify potential targets for Mayaro virus diagnostics and therapeutics.
  • To investigate the structural basis of Mayaro virus E1/E2 heterodimer stability.

Main Methods:

  • In silico identification of antigenic epitopes on the Mayaro virus E2 glycoprotein.
  • Theoretical prediction of epitope stability and surface exposure.
  • Molecular dynamics simulations to analyze the structural role of conserved residues in the E1 fusion loop.

Main Results:

  • An antigenic and specific epitope (p_MAYV4) was identified in domain A of the Mayaro virus E2 glycoprotein.
  • The epitope p_MAYV4 is predicted to be stable, surface-exposed, and capable of interacting with neutralizing antibodies.
  • The PHE95 residue in the E1 fusion loop is conserved and critical for stabilizing the E1/E2 heterodimer through hydrophobic interactions.

Conclusions:

  • The identified epitope (p_MAYV4) is a promising target for developing immunodiagnostic platforms for Mayaro virus.
  • Structural insights into the E1/E2 heterodimer provide a foundation for advancing diagnostic tools and exploring therapeutic interventions against Mayaro virus.

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