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April 8, 2026Biomolecules0 citationsOpen Access

Interactys-AI: Toward AI-Driven Structural Mapping of Virus–Host Interfaces for Antiviral Repurposing and Pandemic Preparedness

CPChristian PoitrasAHAli HarakeNGNathalie Grandvaux

Key Points

  • The study aims to develop an AI framework that maps virus-host protein interactions to enhance antiviral drug repurposing.
  • Developed 'Interactys-AI' framework for structural modeling of virus-host interactions.
  • Applied framework to analyze influenza A H5N1 hemagglutinin.
  • Illustrated how AI can predict therapeutic opportunities in real time.
  • Successfully mapped virus-host protein interactions using AI techniques.
  • Identified actionable drug repurposing opportunities for antiviral therapies.
  • Outlined limitations of current methods and proposed future research directions.

Abstract

Understanding how viruses engage host cell surfaces is fundamental to infection biology and therapeutic development. While vaccines remain central to prevention, recent global crises have emphasized the need for complementary antiviral strategies that can be mobilized rapidly against both known and emerging pathogens. In this context, artificial intelligence (AI) systems for biomolecular structure prediction, culminating in AlphaFold 3, are reshaping what is experimentally and conceptually achievable. Here, we present “Interactys-AI”, a framework designed to exploit AI-based structural modeling to systematically map virus–host protein–protein interactions (PPIs) and connect them to actionable drug repurposing opportunities. Beyond a technical workflow, Interactys-AI reflects a broader transformation toward predictive and anticipatory antiviral discovery. We describe the conceptual foundations of the platform, its implementation, and its application to influenza A H5N1 hemagglutinin. We further discuss how structural AI may redefine preparedness strategies, highlight current limitations, and outline future directions toward real-time therapeutic hypothesis generation.

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Cite This Study

Poitras et al. (2026) studied this question.

synapsesocial.com/papers/69d5f13674eaea4b11a7abaahttps://doi.org/10.3390/biom16040541
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