Targeting Alzheimer's & Parkinson's: In Silico to Molecular Dynamics

This book explores the progressive degeneration of neurons in the central nervous system, focusing on the two most prevalent neurodegenerative diseases, Alzheimer's and Parkinson's. It highlights the global burden of these disorders, with dementia affecting approximately 55 million people worldwide and projections estimating 152 million cases by 2050, emphasizing the urgent need for effective therapies. The work discusses the challenges of traditional drug development, including high costs and lengthy timelines, and presents in silico approaches, or computer-aided drug design (CADD), as efficient alternatives. By employing computational simulations, pharmacological predictions, and quantitative structure-activity relationship (QSAR) modeling, the book demonstrates how new compounds with potential therapeutic activity can be identified, optimized, and evaluated prior to experimental testing. Combining multiple computational methodologies, this project aims to guide the rational design of novel molecules for the treatment of Alzheimer's and Parkinson's diseases, accelerating drug discovery and improving the prospects for effective therapies.