Bentham Books announces the release of Computer-Aided Drug Design: Principles, Techniques, and Applications Part 1 , an edited reference examining the computational methods that support modern drug discovery. The book introduces key principles and techniques used to study molecular interactions, predict drug properties, and identify promising drug candidates, highlighting the role of computational science in pharmaceutical research.
Drug discovery requires substantial time, resources, and investment. Computer-aided drug design (CADD) offers researchers computational approaches to support this complex process, from analyzing molecular structures to predicting the properties of potential drug candidates.
This volume explores the theoretical foundations and practical applications of CADD, covering quantitative structure-activity relationship (QSAR) modelling, molecular and quantum mechanics, energy minimization, homology modelling, molecular docking, and absorption, distribution, metabolism, excretion, and toxicity (ADMET) prediction.
The book also examines molecular descriptor generation, statistical validation, predictive modelling, and rigid, flexible, and hybrid docking strategies. By bringing these methods together, it provides readers with a foundation for understanding how computational techniques can support lead identification, molecular interaction analysis, and early-stage drug development.
Readership: Students, research scholars, and professionals in pharmaceutical sciences, medicinal chemistry, computational biology, molecular modelling, and drug discovery.
Dr. Ajmer Singh Grewal is a Professor of Pharmaceutical Chemistry at Guru Gobind Singh College of Pharmacy, India. His research focuses on computer-aided drug design, medicinal chemistry, and computational modelling. He has published over 150 research papers and edited 20 books.
Dr. Viney Lather is a Professor and Centre-Head at Amity University, Noida, India. His research interests include medicinal chemistry, molecular modelling, AI-driven drug discovery, and bioinformatics. He has published over 170 research papers.
Dr. Geeta Deswal is a Professor and Head of Pharmacognosy at Guru Gobind Singh College of Pharmacy, India. Her research focuses on phytoconstituents, molecular modelling, and natural product-based drug discovery. She has authored over 50 journal articles and edited 15 books.
Dr. Kumar Guarve is the Principal and Professor at Guru Gobind Singh College of Pharmacy, India. With over 21 years of experience in pharmaceutical education and institutional leadership, he has published over 90 research articles and contributed to numerous academic books.
Book Link: https://bit.ly/4yWpUJg
DOI: 10.2174/97988988171141260101
https://doi.org/10.2174/97988988182271260101