The results obtained from our integrated drug discovery approach illustrate the effectiveness of combining pharmacophore-based docking with reaction-based enumeration and QSAR modeling. The successful identification of 47 active compounds from an initial pool of 1,692, derived via pharmacophore-based docking, validates our hypothesis-driven selection criteria. Notably, the reduction to 255 compounds for experimental validation underscores the importance of a multiparameter selection process that balances docking scores with pharmacophore fit and chemical diversity.