Computer Aided Drug Design (CADD): From Ligand-Based Methods to Structure-Based Approaches (Drug Discovery Update) - Softcover

Softcover

ISBN 10: 0323906087 ISBN 13: 9780323906081

Publisher: Elsevier, 2022

Synopsis

Computer-Aided Drug Design (CADD): From Ligand-Based Methods to Structure-Based Approaches outlines the basic theoretical principles, methodologies and applications of different fundamental and advanced CADD approaches and techniques. Including information on current protocols as well as recent developments in the computational methods, tools and techniques used for rational drug design, the book explains the fundamental aspects of CADD, combining this with a practical understanding of the various in silico approaches used in modern drug discovery processes to assess the field in a comprehensive and systematic manner.

Providing up-to-date, information and guidance for scientists, researchers, students and teachers, the book helps readers address specific academic and research related problems using illustrative explanations, examples and case studies, which are systematically reviewed.

• Highlights in silico approaches to drug design and discovery using computational tools and techniques
• Details ligand-based and structure-based drug design in a comprehensive and systematic approach
• Summarizes recent developments in computational drug design strategy as novel approaches of rational drug designing

About this title

About the Authors

Mithun Rudrapal, PhD, FIC, FICS, CChem (India), is Associate Professor at the Department of Pharmaceutical Sciences, School of Biotechnology & Pharmaceutical Sciences, Vignan's Foundation for Science, Technology & Research (Deemed to be University), Guntur, India. Dr. Rudrapal has been actively engaged in teaching and research in the field of Pharmaceutical and Allied Sciences for more than 13 years. He has over a hundred publications in peer-reviewed international journals to his credit and has filed a number of Indian and International patents. In addition, Dr. Rudrapal is the author of dozen published or forthcoming books. Dr. Rudrapal works in the areas of Medicinal Chemistry, CADD, Drug Repurposing, Phytochemistry, Herbal Drugs and Dietary Polyphenols.

Chukwuebuka Egbuna (PhD) is a chartered chemist and academic researcher. He is a member of the Institute of Chartered Chemists of Nigeria (ICCON), the Nigerian Society of Biochemistry and Molecular Biology (NSBMB), and the Royal Society of Chemistry (RSC) (United Kingdom). Dr. Egbuna is the founder and editor of the Elsevier book series on Drug Discovery Update. The series includes books, monographs, and edited collections from all areas of drug discovery including emerging therapeutic claims for the treatment of diseases. He has published research articles in many international journals of repute and is ranked among the top 500 Nigerian scientists in SciVal/SCOPUS. He has edited more than 25 books with Elsevier, Springer, Wiley, and Taylor & Francis. His most recent book is the three volume Coronavirus Drug Discovery, published by Elsevier. Dr. Egbuna is the founder and the publishing director of IPS Intelligentsia Publishing Services.

From the Back Cover

Complete overage of the fundamental and more advanced computer aided design approaches and techniques.

Computer-Aided Drug Design (CADD): From Ligand-Based Methods to Structure-Based Approaches outlines the basic theoretical principles, methodologies, and applications of different fundamental as well as advanced CADD approaches and techniques. Including information on current protocols as well as recent developments in the computational methods, tools and techniques used for rational drug design, the book explains the fundamental aspects of CADD, combining this with a practical understanding of the various in silico approaches used in modern drug discovery processes to assess the field in a comprehensive and systematic manner. Providing up-to-date, information and guidance for scientists, researchers, students and teachers, the book helps readers address specific academic and research related problems using illustrative explanations, examples, and case studies, which are systematically reviewed. Focusing on the current status and recent advances in computational tools, techniques and databases, guidance on experimental design in emerging therapeutic areas of interest using the latest CADD protocols and techniques is included. The information and resources embedded in the book will therefore be of benefit to beginners as well as experienced professionals.

Key Features

• Highlights in silico approaches to drug design and discovery using computational tools and techniques
• Detail’s ligand-based drug design and structure-based drug design in a comprehensive and systematic approach
• Summarizes recent developments in computational drug design strategy as novel approaches of rational drug designing

Edition details

• Publisher: Elsevier
• Publication date: 2022
• Language: English
• ISBN 10: 0323906087
• ISBN 13: 9780323906081
• Binding: Paperback
• Number of pages: 322
• Editor: Rudrapal Mithun, Egbuna Chukwuebuka