2025.06.12 - Broad-spectrum coronavirus drug developed through AI-enabled dynamic modeling

Manuscript title: Broad-spectrum coronavirus inhibitors discovered by modeling viral fusion dynamics Journal: Frontiers in Molecular Biosciences Publication date: 14 May 2025 (we can publish our release anytime) Coronavirus illustration: Through powerful AI- and physics-driven modeling of the viral fusion process that the Spike protein on the virus surface is key to, as well as subsequent drug prediction and development efforts, the team identified a promising new broad-spectrum coronavirus drug that could be used in future respiratory pandemics, even as a prophylactic treatment. Credit: Envato Dynamic modeling of the SARS-CoV-2 Spike protein: Using tools from the special effects industry and AI, the team developed a computational model of how the Spike protein (shown on the left with its host-cell-binding end on the bottom) changes its structure to prepare the SARS-CoV-2 virus for fusion with the host cell membrane. The region the right three images zoom into contains a site (encircled) that initially remains hidden upon the initial binding of the virus to the host cell but becomes accessible during a critical time window when it approaches membrane fusion. The study predicted this site to have potential as a binding pocket for drug compounds that could lock the Spike protein in its pre-fusion state. Credit: Wyss Institute at Harvard University.