Name: Drug Design Strategies: Quantitative Approaches: Volume 13
Author: David J Livingstone
ISBN: 9781849731669

Drug Design Strategies: Quantitative Approaches: Volume 13 book cover

Drug Design Strategies: Quantitative Approaches: Volume 13

Author(s): David J Livingstone

Publisher: Royal Society of Chemistry
Publication Date: 10 Nov. 2011
Language: English
Print length: 516 pages
ISBN-10: 9781849731669
ISBN-13: 9781849731669

Book Description

Shows how different parts of the drug discovery process have developed, with particular emphasis on quantitative aspects and possible future progress.

Editorial Reviews

Review

“The Editors both with a long and recognised history in academic and industrial research, have managed to compile an impressive and fresh overview combining theoretical and application-oriented chapters.””The wealth of information, its good readability for the most part, and the appropriate selection of research topics make this reference book a recommended read for both graduate students and researchers in the field.”

— “ChemMedChem, 2012, 7, 1295-1298, Dr Hans Matter”

From the Inside Flap

With the rapidly escalating costs of drug discovery and development together with spiralling delivery, quantitative approaches hold the promise of shifting the balance of success, to enable drug discovery to maintain its economic viability. Drug Design Strategies: Quantitative Approaches will provide a useful summary of the current state-of-the-art in quantitative approaches to drug design, and future opportunities. It will provide an inspiration to drug design practitioners to apply careful design, to make best use of the quantitative methods that are currently available, while continuing to improve them. The book begins with a comprehensive overview of quantitative approaches to drug design and describes the development of key concepts such as “drug-like properties”, quantitative structure-activity relationships and molecular modelling, and in particular, structure-based design approaches to guide lead optimisation. How you manage and describe chemical structures, underpins all quantitative approaches to drug design and these are described in Chapters 6-8. The value of a quantitative approach, and also the challenge, is to describe the confidence in any prediction, and methods to assess predictive model quality are described in chapter 9. The later chapters describe the application of quantitative approaches to describing and optimising potency, selectivity, drug metabolism and pharmacokinetic properties and toxicology, and the design of chemical libraries to feed the screening approaches to lead generation that underpin modern drug discovery. Finally the impact of bioinformatics, current status of predicting ligand affinity direct from the protein structure, and the application of quantitative approaches to predicting environmental risk are also discussed. The book will be essential reading for medicinal and computational chemists, and all those involved in drug discovery and development in the pharmaceutical industries.

From the Back Cover

With the rapidly escalating costs of drug discovery and development together with spiralling delivery, quantitative approaches hold the promise of shifting the balance of success, to enable drug discovery to maintain its economic viability. Drug Design Strategies: Quantitative Approaches will provide a useful summary of the current state-of-the-art in quantitative approaches to drug design, and future opportunities. It will provide an inspiration to drug design practitioners to apply careful design, to make best use of the quantitative methods that are currently available, while continuing to improve them. The book begins with a comprehensive overview of quantitative approaches to drug design and describes the development of key concepts such as “drug-like properties,” quantitative structure-activity relationships and molecular modelling, and in particular, structure-based design approaches to guide lead optimisation. How you manage and describe chemical structures, underpins all quantitative approaches to drug design and these are described in Chapters 6-8. The value of a quantitative approach, and also the challenge, is to describe the confidence in any prediction, and methods to assess predictive model quality are described in chapter 9. The later chapters describe the application of quantitative approaches to describing and optimising potency, selectivity, drug metabolism and pharmacokinetic properties and toxicology, and the design of chemical libraries to feed the screening approaches to lead generation that underpin modern drug discovery. Finally the impact of bioinformatics, current status of predicting ligand affinity direct from the protein structure, and the application of quantitative approaches to predicting environmental risk are also discussed. The book will be essential reading for medicinal and computational chemists, and all those involved in drug discovery and development in the pharmaceutical industries.

About the Author

David J Livingstone is now an independent consultant having previously spent 18 years carrying out research in the pharmaceutical industry. Following a PhD in drug design at the University of Dundee, he joined Wellcome in their department of Biophysics & Biochemistry on a search for compounds that would promote the release of oxygen from haemoglobin, and later he joined the computational chemistry group in physical chemistry. He then moved to SmithKline Beecham to run a small computational chemistry group and left to work for himself as a consultant and also became a visiting professor at the Centre for Molecular Design at the University of Portsmouth. While working in the pharmaceutical industry he has had a number of academic collaborations and successfully supervised 3 MSc students and 5 PhD students. He has published 80 peer reviewed papers, 11 book chapters, 1 book and also edited 3 books. He is a fellow of the Royal Society of Chemistry and a member of the editorial board of 3 journals. Andy Davis is a senior principal scientist in chemistry with the Respiratory and Inflammation Innovative Medicines division of AstraZeneca in Sweden. He read chemistry at Imperial College of Science and Technology and gained a PhD in Physical Organic Chemistry with Professor MI Page at the University of Huddersfield. He joined Fisons PLC Pharmaceuticals Division, which became part of the Swedish pharmaceutical company Astra AB who then merged with Zeneca PLC, to form AstraZeneca PLC. He has spent the last 23 years in drug discovery, in line management, project and portfolio management and senior science roles.

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