My research focuses on the design, synthesis, and pharmacological evaluation of novel small molecules targeting neurodegenerative diseases, particularly Alzheimer’s disease. Both classical and multicomponent reactions, such as the Biginelli reaction and click chemistry, are employed to develop dihydropyrimidinone and triazolyl derivatives with potential neuroprotective and anti-amyloid properties. Green synthetic approaches, including microwave-assisted responses, are used to enhance efficiency and sustainability. These compounds are evaluated through a combination of in vitro assays, such as Thioflavin-T fluorescence for amyloid-β aggregation, and neuroprotection assays in SH-SY5Y and BV-2 cells, to assess their efficacy and toxicity. Additionally, molecular docking and in silico studies are conducted to explore the binding interactions of these compounds with amyloid-β fibrils and related targets, supporting structure–activity relationship (SAR) analyses and optimizing therapeutic potential.