Gain Therapeutics used an AI and physics‑based modeling platform to identify a novel small molecule that allosterically binds a dysfunctional enzyme, restores its activity, and reduces neuroinflammation in Parkinson’s models, according to company scientist Gene Mack. The hybrid computational approach combined biophysical simulations with machine learning to prioritize an allosteric modulator that previous screens had missed. Preclinical data showed enzymatic rescue and downstream anti‑inflammatory effects in cellular and animal studies. Gain plans IND‑enabling studies; regulators will scrutinize mechanism claims and translational biomarkers. The finding underscores growing industry use of physics‑informed AI to accelerate discovery and de‑risk targets for neurodegeneration.