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

Erscheinungsjahr 2022
ISBN: 978-0-323-90608-1
Verlag: William Andrew Publishing

Buch, Englisch, 322 Seiten, Format (B × H): 152 mm x 229 mm, Gewicht: 540 g

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.

Autoren/Hrsg.

Rudrapal, Mithun

Egbuna, Chukwuebuka

Fachgebiete

• Naturwissenschaften Chemie Organische Chemie

Inhaltsverzeichnis

1. Introduction to drug design and discovery 2. Fundamental considerations in drug design 3. Ligand-based drug design (LBDD) 4. Quantitative structure-activity relationships (QSARs) 5. Fundamentals of molecular modeling in drug design 6. Pharmacophore modeling in drug design 7. Structure-based drug design (SBDD) 8. Recent advances in CADD 9. Limitations and future challenges of CADD

Über Autor(innen)

Rudrapal, Mithun
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.

Egbuna, Chukwuebuka
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.