COMPUTER AIDED DRUG DESIGN

COMPUTER AIDED DRUG DESIGN: Principles, Methods and Applications

Modern drug discovery is driven by precision, prediction, and computational intelligence. Computer Aided Drug Design (CADD) has become an indispensable tool in pharmaceutical research, enabling scientists to model molecular interactions, predict biological activity, and reduce costly experimental failures.

This book provides a clear, structured, and application-focused understanding of CADD for B.Pharm, M.Pharm, MSc Chemistry students, research scholars, and pharmaceutical professionals. Complex topics such as QSAR, molecular docking, virtual screening, pharmacophore modeling, molecular mechanics, quantum chemistry, and ADME prediction are explained in a logical, step-by-step manner without compromising scientific depth.

A defining strength of this text is the inclusion of more than 70 carefully designed full illustrations. These visuals transform abstract computational concepts into understandable frameworks, helping students visualize molecular interactions, energy landscapes, screening workflows, and structure-activity relationships with clarity.

Each chapter is written in a crystal-clear, examination-oriented style, bridging theoretical principles with practical drug discovery applications. The book not only explains how computational tools work but also why they are essential in modern pharmaceutical development.