Alzheimer's Disease (AD) is a progressive neurodegenerative disorder that severely impacts cognitive function, leading to a global public health crisis. This chapter provides an in-depth exploration of the various hypotheses and molecular mechanisms involved in AD progression, including the Aβ cascade, tau aggregation, neuroinflammation, metal ion dysregulation, oxidative stress, and altered glucose and cholesterol metabolism. We delve into the role of key macromolecules and genes that contribute to the onset and advancement of AD, with a special focus on cholinesterase inhibitors and Aβ aggregation inhibitors as potential therapeutic strategies. Furthermore, the chapter discusses innovative approaches, such as targeting tau kinases, and highlights neuroprotective compounds currently under investigation. The emergence of network pharmacology offers new insights into protein-protein interactions (PPIs), paving the way for novel drug discovery. We also explore the significant impact of artificial intelligence (AI) and machine learning (ML) in revolutionizing AD therapeutics, enabling precision medicine and personalized treatment approaches. Finally, we provide future perspectives on overcoming the challenges in AD drug development and conclude with a comprehensive summary of cutting-edge strategies in the fight against Alzheimer's Disease.