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

ISBN-13: 9780323906081 / Angielski / Miękka / 2022

Mithun Rudrapal; Chukwuebuka Egbuna

Spis treści

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

O autorze

Mithun Rudrapal is an Associate Professor and Head at the Department of Pharmaceutical Chemistry, Rasiklal M. Dhariwal Institute of Pharmaceutical Education and Research, Pune, India. Dr. Rudrapal has been actively engaged in teaching and research in the field of Pharmaceutical and Allied Sciences for more than 12 years. He has over 100 publications in peer-reviewed international journals to his credit and has filed a number of Indian patents. In addition, Dr. Rudrapal is the author or editor over a dozen published or forthcoming books or book chapters. Dr. Rudrapal works in the area of Medicinal Chemistry, CADD, Pharmacology, Drug Repurposing, Phytochemistry, Herbal Drugs and Nanophytotherapeutics. His research interests include discovery and development of drugs for infectious diseases, diabetes and inflammatory disorders from synthetic as well as plant sources.

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.