COMPUTER AIDED DRUG DEVELOPMENT
About this ebook
This book is designed to provide readers—students, researchers, and professionals alike—with a comprehensive understanding of the principles, tools, and applications involved in computer-aided approaches to drug design. It explores the integration of computational techniques such as molecular modeling, virtual screening, quantitative structure-activity relationship (QSAR) modeling, molecular docking, pharmacophore modeling, and bioinformatics in the modern drug discovery pipeline.
The goal of this book is to demystify the complex landscape of computational drug development and to present it in a clear, accessible, and practical manner. Each chapter is carefully structured to balance theoretical concepts with real-world applications, drawing upon current trends, validated software tools, and case studies from pharmaceutical research.
The importance of computer-aided drug design (CADD) cannot be overstated in today's data-driven pharmaceutical industry. By offering insights into both ligand-based and structure-based approaches, this book serves as a vital resource for those aiming to understand and contribute to the future of drug discovery.
It is my hope that Computer Aided Drug Development will inspire readers to explore new ideas, adopt innovative methodologies, and pursue impactful research in the quest for more effective and safer therapeutic solutions.
About the author
Dr. I. Somasundaram is a distinguished professor in the Department of Pharmaceutics at the School of Pharmaceutical Sciences, Vels Institute of Science, Technology, and Advanced Studies, Chennai. With over 15 years of teaching experience and 9 years of research expertise, he specializes in drug delivery systems and antioxidant protective mechanisms. His research interests include brain nanoparticle delivery, colon-targeted drug delivery, and polymer applications in controlled drug release. He has successfully supervised multiple Ph.D., M.Pharm, B.Pharm, and Pharm.D students, contributing significantly to pharmaceutical sciences. Dr. Somasundaram has published 37 research papers and presented five at various academic conferences. He has received prestigious awards, including the APP Socially Active Pharmacist Award and the Best Teacher Award. His technical expertise spans formulation sciences, analytical instrumentation, and experimental pharmacology. He holds patents in India and the UK, reflecting his contributions to pharmaceutical innovation. An editorial board member of the International Journal of Futuristic Research in Health Science, he actively engages in research excellence and academic mentorship.
Mr. Praveen Sekar currently working as an Assistant Professor at the Department of Pharmaceutical Chemistry, Swamy Vivekanandha College of Pharmacy, Elayampalayam, Namakkal, Tamilnadu, India. His Research area includes Synthesis of small molecules, Network Pharmacology, Quantum theoretical studies, Molecular modelling and Biological studies. He has authored around 35 research and review papers in various peer-reviewed International and National journals. He has also published 2 books, 1 book chapter and 4 patents. Mr. Praveen had presented and received "Best Presentation and Best Paper awards" in various International and National conferences.
Dr. Bhupen Kumar Baruah, currently working as an Assistant Professor in the Department of Chemistry, Jagannath Barooah University, Jorhat, Assam, India. He has a rich experience of thirteen years in teaching of chemistry in B.Tech and B.Sc courses. He completed his graduation from Mangaldai College, Darrang, Assam and completed MSc and PhD from Gauhati University, Guwahati, Assam, India. Worked as Assistant Professor at GIMT-Tezpur and presently working as Assistant Professor at Jagannath Barooah University, Jorhat, Assam. His research interest on soil and water pollution, environmental statistics, phytochemistry, bio-adsorption, nano fertilizer and material chemistry. He has more than 25 publications and two design patents.
Ms. Rohini Armo is an Associate Professor at the Faculty of Pharmaceutical Chemistry, Shri Rawatpura Sarkar Institute of Pharmacy, Kumhari, Durg, Chhattisgarh, India. She is rich experience, 12 years in teaching Pharmacy. She is completed D. pharmacy, B. pharmacy, M. pharmacy Pharmaceutical Chemistry Form CSVTU Bhilai, Durg Chhattisgarh, India and Pt. RSU University Raipur, Chhattisgarh, India. She is guided many M. Pharmacy and B. Pharmacy Students at the research level. She has over 30 publications, 1 Indian Patent grant, 5 Indian Patent Publications, 10 Design Patents (India, Australia, Africa, UK, Garman) and 6 Book. She is Life Time Membership 4 Association and Various Technical knowledge & Instrumentation, Software, Tool etc.She is recipient of School, College, Various society, NGO, Academic journey total Achievements “152” Awards on the basis of Category archives state , Division, National, International, as a General Knowledge competitions, cultural activities competitions, Essay competition, games, souls Activities, painting, science Activities, N.s.s. , Scout-Guide, vakta- manch, March past (Direal) 15 Aug & 26 Jan Police Grounds, Sports competitions, Science Activities competitions, Children scientist and Young scientist, junior scientist Award.
