rdf-syntax-grammar
mods:
  schema location: http://www.loc.gov/mods/v3 http://www.loc.gov/standards/mods/v3/mods-3-2.xsd
  title info:
    title: Drug-Like Properties
    sub title: Concepts, Structure Design and Methods from ADME to Toxicity Optimization
  name:
    name part: Di, Li
    affiliation: Pfizer, East Lyme, CT, USA
    role:
      role term: creator
    role:
      role term: author
  name:
    name part: Kerns, Edward H
    role:
      role term: author.
  name:
    name part: ScienceDirect (Online service)
  type of resource: text
  genre: Electronic books.
  origin info:
    place:
      place term: xx
    date issued: 2016
    edition: 2nd.
    issuance: monographic
  language:
    language term: eng
  physical description:
    form: remote
    extent: 1 online resource (580 pages)
  abstract: 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.
  table of contents: Front Cover; Drug-Like Properties: Concepts, Structure, Design, and Methods from ADME to Toxicity Optimization; Copyright; Dedication; Contents; Preface; Preface to Second Edition; Preface to First Edition; Chapter 1: Introduction; 1.1. Drug-like Properties in Drug Discovery; 1.2. Purpose of This Book; Problems; References; Chapter 2: Benefits of Property Assessment and Good Drug-Like Properties; 2.1. Introduction; 2.2. Discovery Scientists Optimize Many Properties; 2.3. Introduction to the Drug Discovery and Development Process; 2.4. Benefits of Good Drug-like Properties.
  table of contents: 2.4.1. Reduced Development Attrition2.4.2. More Efficient Drug Discovery; 2.4.3. More Efficient Drug Development; 2.4.4. Higher Patient Compliance; 2.4.5. Improved Biological Research in Drug Discovery; 2.4.6. Enabled Partnerships for Drug Development; 2.4.7. Human Modeling and Clinical Planning; 2.4.8. Balance of Properties and Activity; 2.5. Property Profiling in Drug Discovery; 2.6. Drug-like Property Optimization in Drug Discovery; Problems; References; Chapter 3: In Vivo Environments Affect Drug Exposure; 3.1. Introduction; 3.2. Drug Dosing; 3.3. Stomach.
  table of contents: 3.3.1. Gastric Acidic Degradation3.4. Intestinal Environment; 3.4.1. Dissolution Rate; 3.4.2. Solubility; 3.4.3. Permeability; 3.4.4. Intestinal Metabolism; 3.4.5. Intestinal Enzymatic Hydrolysis; 3.4.6. Absorption Enhancement in the Intestine; 3.5. Bloodstream; 3.5.1. Plasma Enzyme Hydrolysis; 3.5.2. Plasma Protein Binding; 3.5.3. Red Blood Cell Binding; 3.6. Liver; 3.6.1. Permeation into and out of Hepatocytes; 3.6.2. Hepatic Metabolism; 3.6.3. Biliary Extraction; 3.7. Kidney; 3.8. Blood-Tissue Barriers; 3.9. Tissue Distribution; 3.9.1. Nonspecific Binding in Tissue.
  table of contents: 3.10. Consequences of Chirality3.11. Overview of in vivo Challenges to Drug Exposure; Problems; References; Chapter 4: Prediction Rules for Rapid Property Profiling from Structure; 4.1. Introduction; 4.2. General Concepts for Prediction Rules; 4.3. Rule of 5; 4.4. Veber Rules; 4.5. Waring Rules; 4.6. Golden Triangle; 4.7. Other Predictive Rules; 4.8. Application of Rules for Compound Assessment; 4.9. Applications of Predictive Rules; Problems; References; Chapter 5: Lipophilicity; 5.1. Lipophilicity Fundamentals; 5.2. Lipophilicity Effects.
  table of contents: 5.3. Lipophilicity Case Studies and Structure Modification5.3.1. Lipophilicity Modification for Biological Activity; 5.3.2. Lipophilicity Modification for Pharmacokinetics; 5.3.3. Lipophilicity Modification for Toxicity; Problems; References; Chapter 6: pKa; 6.1. pKa Fundamentals; 6.2. pKa Effects; 6.2.1. pKa Affects Efficacy; 6.2.2. pKa Affects Pharmacokinetics; 6.2.3. pKa Affects Toxicity; 6.3. pKa Case Studies; 6.3.1. pKa and Activity Examples; 6.3.2. pKa and Pharmacokinetics Examples; 6.4. Structure Modification Strategies for pKa; Problems; References; Chapter 7: Solubility.
  note: Li Di, Edward H Kerns.
  note: 1. Introduction 2. The Advantages of Good Drug-like Properties 3. Barriers to Drug Exposure in Living Systems 4. Rules for Rapid Property Profiling From Structure 5. Lipophilicity 6. pKa 7. Solubility 8. Permeability 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 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 38. Diagnosing and Improving Pharmacokinetic Performance 39. Prodrugs 40. Effects of Properties on Biological Assays 41. Formulation.
  subject:
    topic: Pharmaceutical chemistry
  subject:
    topic: Drugs
    topic: Structure-activity relationships
  subject:
    topic: Drug development
  subject:
    topic: Drugs
    topic: Design
  subject:
    topic: Chemistry, Pharmaceutical
  subject:
    topic: Drug Design
  subject:
    topic: Chimie pharmaceutique
  subject:
    topic: Médicaments
    topic: Relations structure-activité
  subject:
    topic: Médicaments
    topic: Développement
  subject:
    topic: Médicaments
    topic: Conception
  subject:
    topic: Drug development
  subject:
    topic: Drugs
    topic: Design
  subject:
    topic: Drugs
    topic: Structure-activity relationships
  subject:
    topic: Pharmaceutical chemistry
  classification: RS420
  classification: 615.19
  related item:
    title info:
      title: Drug-Like Properties : Concepts, Structure Design and Methods from ADME to Toxicity Optimization
    name:
      name part: Di, Li.
    origin info:
      publisher: Saint Louis : Elsevier Science, ©2015
  identifier: 0128013222
  identifier: 9780128013229
  identifier: 9780128013229 Ingram Content Group
  identifier: http://proxy.library.tamu.edu/login
  record info:
    record content source: NLE
    record creation date: 151223
    record change date: 20260407211226.6
    record identifier: in00005760005
    language of cataloging:
      language term: eng