Drug-like Properties: Concepts, Structure Design and Methods: from ADME to Toxicity Optimization / Edition 1

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Of the thousands of novel compounds that a drug discovery project team invents and that bind to the therapeutic target, typically only a fraction of these have sufficient ADME/Tox properties to become a drug product. Understanding ADME/Tox is critical for all drug researchers, owing to its increasing importance in advancing high quality candidates to clinical studies and the processes of drug discovery. If the properties are weak, the candidate will have a high risk of failure or be less desirable as a drug product. This book is a tool and resource for scientists engaged in, or preparing for, the selection and optimization process.

The authors describe how properties affect in vivo pharmacological activity and impact in vitro assays. Individual drug-like properties are discussed from a practical point of view, such as solubility, permeability and metabolic stability, with regard to fundamental understanding, applications of property data in drug discovery and examples of structural modifications that have achieved improved property performance. The authors also review various methods for the screening (high throughput), diagnosis (medium throughput) and in-depth (low throughput) analysis of drug properties.

• Serves as an essential working handbook aimed at scientists and students in medicinal chemistry
• Provides practical, step-by-step guidance on property fundamentals, effects, structure-property relationships, and structure modification strategies
• Discusses improvements in pharmacokinetics from a practical chemist's standpoint

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Editorial Reviews

Doody's Review Service
Reviewer: Thomas L. Pazdernik, PhD (University of Kansas Medical Center)
Description: Two pharmaceutical scientists have put together this valuable summary of what needs to be known about drug chemical and physical properties and biological activities to optimize the process of drug discovery.
Purpose: The objective is to summarize information on ADME (absorption/distribution/metabolism/excretion) and toxic property concepts, structure design, and methodologies required to optimize the process of drug discovery. The authors have done a nice job of presenting this information in a concise and readable format.
Audience: This book will be of great value for both chemists and biologists who are in training for and/or are part of a drug discovery team.
Features: Each chapter starts with a bulleted outline of what is to be covered and ends with a problem set (answers in appendix I) to facilitate understanding of the material. Key references are provided at the end of each chapter. Part 1 of the book deals with introductory information on concepts that are used in drug discovery. Part 2 deals with the physicochemical property concepts of chemicals that must be understood to optimally develop a chemical entity into a useful drug. Part 3 deals with the important concepts that must be understood about drug distribution, metabolism, and safety. The concepts of pharmacokinetics are presented with a minimal of mathematics, focusing on their practical applications to drug discovery projects. Part 4 is devoted to key methods that are used in drug discovery. The book concludes with a special topics section including diagnosing and improving pharmacokinetic performance, prodrugs, effects of properties on biological assays and drug formulations. Appendix II contains a list of very general references and Appendix III is a glossary that defines important terms used in drug discovery.
Assessment: This is a valuable reference for any scientist who works as part of a drug discovery team and especially those who are involved in ADME to toxicity optimization.
From the Publisher
JOURNAL OF MEDICINAL CHEMISTRY, OCTOBER 2008: "The authors do an excellent job of providing insight into the background of the many factors that influence drug-like properties...[This] easy-to-read text is...an excellent addition to the library of practicing medicinal chemists and of graduate students in the pharmaceutical sciences. It provides a wealth of information for a reasonable price."—Thomas E. Prisinzano, Dept. of Medicinal Chemistry, University of Kansas, KS, USA

DOODY’S, SEPTEMBER 2008: “This is a valuable reference for any scientist who works as part of a drug discovery team and especially those who are involved in ADME to toxicity optimization […] The authors have done a nice job of presenting this information in a concise, readable format.”—Thomas Pazdernik, University of Kansas Medical Center, KS, USA

“[Recently] I bought your excellent book, and I want to congratulate you and thank you for injecting life into the science of ADMET, lifting the subject to ‘bestseller,’ enjoyable reading material. It is the best book that I have come across that makes a great job of fostering collaborative interactions between ADMET and Medicinal Chemistry scientists in advancing strategies of drug discovery.”—Dr. Collen Masimirembwa, Chief Scientific Officer, AiBST

"I am very impressed...[The book] is destined to become an authoritative text on the whole topic area of drug-like molecules and ADME screening. The chapters are well written and include sufficient detail and references so that the reader can make use of the information effectively. The book could be used in a graduate-level course for medicinal chemists or DMPK scientists. The book would also be very helpful for scientists working in one area of DMPK who wish to become DMPK project managers and need to increase their understanding of other areas of DMPK that are outside of their own specific expertise function. The chapter on pharmacokinetics provides a very good overview of the topic. This book is well worth the purchase price." —Walter Korfmacher, NJ, USA

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Product Details

  • ISBN-13: 9780123695208
  • Publisher: Elsevier Science
  • Publication date: 2/19/2008
  • Edition description: New Edition
  • Edition number: 1
  • Pages: 552
  • Product dimensions: 7.50 (w) x 10.20 (h) x 1.40 (d)

Table of Contents

Preface; Introductory Concepts; Physicochemical Properties; Disposition, Metabolism and Safety; Methods; Specific Topics; Answers to Problems; Appendix I: General References; Appendix II: Glossary.

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