Computer-Aided Drug Design in Modern Drug Discovery

Computer-Aided Drug Design in Modern Drug Discovery offers an in-depth exploration of CADD, featuring real-world case studies and practical examples that empower researchers to effectively harness this technology in drug discovery and development. Exploring the intricacies of CADD, the book comprises several key chapters, beginning with an introduction to its methods and evolution that is followed by a thorough examination of the integration of artificial intelligence in drug design. Subsequent chapters cover various CADD approaches, including ligand-based, structure-based, and fragment-based design, alongside AI-driven compound generation and drug screening. The book also showcases a selection of marketed drugs developed with CADD or AI, such as Captopril, Tirofiban, and Crizotinib, providing invaluable insights into the successes and challenges faced in real-world applications. Finally, the discussion of emerging trends and future directions in CADD and AI highlights the ongoing evolution of these methodologies and their integration with traditional drug development processes.