This research investigates secondary metabolites from Datura metel as potential anti Alzheimer's therapies. In vitro techniques isolated extracts for AD pathology targeting, with in silico analysis identifying gene targets for prevention. Apigenin, Luteolin, and Withanolide A were studied, each with 300 potential gene targets and core gene counts of 54, 52, and 58 respectively. Lipinski's Rule assessed their pharmacological properties, showing good absorption but limited blood-brain barrier penetration. Protein interaction mapping revealed shared targets among the compounds. GO enrichment and KEGG pathway analysis highlighted their impact on biological processes and pathways, suggesting their anti-Alzheimer's potential. Luteolin notably reduced A1 42 levels by up to 35.2% (p 0.05) in SH-SY5Y cells, positioning it and Withanolide A as promising multi-functional Alzheimer's medications. These findings underscore the significance of Datura phytochemicals in AD prevention and treatment.