Drug-Like Properties: Concepts, Structure Design and Methods from ADME to Toxicity Optimization

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Li Di (Pfizer, East Lyme, CT, USA) Edward H Kerns (National Institutes of Health, Bethesda, MD, USA)

Drug-Like Properties

Concepts, Structure Design and Methods from ADME to Toxicity Optimization

Li Di (Pfizer, East Lyme, CT, USA), Edward H Kerns (National Institutes of Health, Bethesda, MD, USA)

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English

Academic Press Inc
13 January 2016

Pharmacology; Xenobiotics; Pharmaceutical technology

Of the thousands of novel compounds that a drug discovery project team invents and that bind to the therapeutic target, only a fraction have sufficient ADME (absorption, distribution, metabolism, elimination) properties, and acceptable toxicology properties, to become a drug product that will successfully complete human Phase I clinical trials. Drug-Like Properties: Concepts, Structure Design and Methods from ADME to Toxicity Optimization, Second Edition, provides scientists and students the background and tools to understand, discover, and develop optimal clinical candidates. This valuable resource explores physiochemical properties, including solubility and permeability, before exploring how compounds are absorbed, distributed, and metabolized safely and stably. Review chapters provide context and underscore the importance of key concepts such as pharmacokinetics, toxicity, the blood-brain barrier, diagnosing drug limitations, prodrugs, and formulation. Building on those foundations, this thoroughly updated revision covers a wide variety of current methods for the screening (high throughput), diagnosis (medium throughput) and in-depth (low throughput) analysis of drug properties for process and product improvement. From conducting key assays for interpretation and structural analysis, the reader learns to implement modification methods and improve each ADME property.

Through valuable case studies, structure-property relationship descriptions, and structure modification strategies, Drug-Like Properties, Second Edition, offers tools and methods for ADME/Tox scientists through all aspects of drug research, discovery, design, development, and optimization.

By: Li Di (Pfizer East Lyme CT USA), Edward H Kerns (National Institutes of Health, Bethesda, MD, USA)
Imprint: Academic Press Inc
Country of Publication: United States
Edition: 2nd edition
Dimensions: Height: 276mm, Width: 216mm, Spine: 33mm
Weight: 1.890kg
ISBN: 9780128010761
ISBN 10: 0128010762
Pages: 580
Publication Date: 13 January 2016
Audience: Professional and scholarly , Professional and scholarly , Undergraduate , Undergraduate
Format: Hardback
Publisher's Status: Active

1. Introduction2. Benefits of Property Assessment and Good Drug-Like Properties3. In Vivo Environments Affect Drug Exposure4. Prediction Rules for Rapid Property Profiling from Structure5. Lipophilicity6. pKa7. Solubility8. Permeability9. Transporters10. Blood-Brain Barrier11. Metabolic Stability12. Plasma Stability13. Solution Stability14. Plasma and Tissue Binding15. Cytochrome P450 Inhibition16. hERG Blocking17. Toxicity18. Integrity and Purity19. Pharmacokinetics20. Lead Properties21. Strategies for Integrating Drug-Like Properties into Drug Discovery22. Methods for Profiling Drug-Like Properties: General Concepts23. Lipophilicity Methods24. pKa Methods25. Solubility Methods26. Permeability Methods27. Transporter Methods28. Blood-Brain Barrier Methods29. Metabolic Stability Methods30. Plasma Stability Methods31. Solution Stability Methods32. CYP Inhibition Methods33. Plasma and Tissue Binding Methods34. hERG Methods35. Toxicity Methods36. Integrity and Purity Methods37. Pharmacokinetic Methods38. Diagnosing and Improving Pharmacokinetic Performance39. Prodrugs40. Effects of Properties on Biological Assays41. Formulation

Li Di is an Associate Research Fellow at Pfizer, USA