Drug discovery is undergoing a fundamental shift from empirical experimentation to precise, data-driven design powered by computational science. Computer-Aided Drug Design presents a structured and application-focused approach to modern drug development, integrating core concepts with advanced computational methodologies.
The book systematically covers key domains including QSAR modeling, molecular modeling, docking, virtual screening, bioinformatics, and chemoinformatics. The content is enriched with more than 90 illustrations that present concepts with clear visual support.Emphasizing mechanistic understanding and workflow integration, the text connects molecular-level interactions with data-driven decision-making, enabling readers to understand not only how methods work but why they are applied.
Each topic is presented with clarity and technical depth, reflecting current industry practices and research standards.Designed for students of B.Pharm, M.Pharm, and Pharm.D, as well as researchers and professionals, this book serves as a reliable guide for mastering computational strategies in drug discovery. It stands as a practical and forward-looking resource for those seeking to engage with the evolving landscape of rational drug design.
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Ramadevi Kyatham, Maneshwar Thippani, Usha Kiranmai Gondrala
Dr. Ramadevi Kyatham is an Associate Professor in the Department of Pharmaceutical Chemistry, School of Pharmacy, Anurag University, Hyderabad, Telangana, India. She earned her Doctorate from Osmania University, Hyderabad, in 2021, and completed her Bachelor's and Master's degrees from the same institution. Her academic work focuses on medicinal chemistry and computational approaches in drug design, with a strong emphasis on integrating theoretical concepts with practical applications.
Mr. Maneshwar Thippani is an Assistant Professor in the Department of Pharmaceutical Chemistry, School of Pharmacy, Anurag University, Hyderabad, Telangana, India. He completed his Bachelor's and Master's degrees from Kakatiya University, Warangal. His teaching and research interests include pharmaceutical chemistry and computer-aided drug design, with a focus on building strong conceptual foundations for students.
Dr. Usha Kiranmai Gondrala is an Assistant Professor in the Department of Pharmaceutics, University College of Pharmaceutical Sciences, Kakatiya University, Warangal, Telangana, India. She obtained her Doctorate from Kakatiya University in 2022 and completed her undergraduate and postgraduate studies at the same institution. Her academic interests include drug delivery systems and formulation sciences, with emphasis on translational pharmaceutical research.
