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Drug-like Properties, 1st Edition

Concepts, Structure Design and Methods, from ADME to Toxicity Optimization

Drug-like Properties, 1st Edition
Author
Kerns, Edward Harvel/ Di, Li 
Publisher
Academic Press 
Publication Date
Feb, 2008 
ISBN
0123695201 or 9780123695208
HARDCOVER 
526 Pages
絶版商品のため、弊社では取り扱いできません。
Out of Print

¥ 11,878 (tax included)

Description

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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.

Contents

Preface Introductory Concepts 1. Introduction 2. The Advantages of Good Drug-like Properties 3. Barriers to Drug Exposure in Living Systems Physicochemical Properties 4. Rules for Rapid Property Profiling From Structure 5. Lipophilicity 6. pKa 7. Solubility 8. Permeability Disposition, Metabolism and Safety 9. Transporters 10. Blood-Brain Barrier 11. Metabolic Stability 12. Plasma Stability 13. Solution Stability 14. Plasma Protein Binding 15. Cytochrome P450 Inhibition 16. hERG Blocking 17. Toxicity 18. Integrity and Purity 19. Pharmacokinetics 20. Lead-like Compounds 21. Strategies for Integrating Drug-Like Properties Into Drug Discovery Methods 22. Methods for Profiling Drug-like Properties: General Concepts 23. Lipophilicity Methods 24. pKa Methods 25. Solubility Methods 26. Permeability Methods 27. Transporter Methods 28. Blood-Brain Barrier Methods 29. Metabolic Stability Methods 30. Plasma Stability Methods 31. Solution Stability Methods 32. CYP Inhibition Methods 33. Plasma Protein Binding Methods 34. hERG Methods 35. Toxicity Methods 36. Integrity and Purity Methods 37. Pharmacokinetics Methods Specific Topics 38. Diagnosing and Improving Pharmacokinetic Performance 39. Prodrugs 40. Effects of Properties on Biological Assays 41. Formulation Answers to Problems Appendix I: General References Appendix II: Glossary

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