Inhibition of viral fusion via HR1-binding peptides: a machine learning and molecular dynamics-guided strategy against Nipah virus

Key Points

• Inhibition of viral fusion was achieved using HR1-binding peptides, showing effective prevention against Nipah virus.
• Peptides reduced fusion activity by over 70% in tested conditions, indicating their potential as antiviral agents.
• Molecular dynamics simulations and machine learning techniques guided the design of these peptides, enhancing specificity.
• The findings suggest a novel strategy for developing antiviral therapies, though further studies are needed for clinical applications.