In this study, we measured the inhibitory potential of six coumarins against aldose reductase using both computational and experimental approaches. Molecular docking, molecular dynamics simulations, and MM/PBSA binding free energy calculations identified auraptene, marmesin, and isopimpinellin as the most promising inhibitors, with binding affinities of ΔG = -34.88, -29.40, and -20.31 kcal/mol, respectively. ADMET analysis indicated favorable pharmacokinetic properties for all three compounds, including high gastrointestinal absorption and bioavailability. In vitro assays confirmed auraptene as the most potent inhibitor with the lowest IC