Our pharmacophore-based docking approach, utilizing the MOE software, successfully identified 1,692 compounds that aligned with our pharmacophore hypothesis. From this set, we carefully selected 255 top-ranked compounds for further analysis. This selection was made based on criteria such as docking scores, how well each compound fit the pharmacophore model, and their chemical diversity. These compounds were then advanced to in vitro assays to assess their biological activity against the ALDH3A1 enzyme.