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Drug-like properties : concepts, structure design and methods from ADME to toxicity optimization /
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 succes...
| Clasificación: | Libro Electrónico |
|---|---|
| Autores principales: | , |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
Amsterdam :
Elsevier,
[2016]
|
| Edición: | Second edition. |
| Temas: | |
| Acceso en línea: | Texto completo |
MARC
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| 100 | 1 | |a Di, Li, |e author. | |
| 245 | 1 | 0 | |a Drug-like properties : |b concepts, structure design and methods from ADME to toxicity optimization / |c by Li Di and Edward H. Kerns. |
| 250 | |a Second edition. | ||
| 264 | 1 | |a Amsterdam : |b Elsevier, |c [2016] | |
| 264 | 4 | |c ©2016 | |
| 300 | |a 1 online resource | ||
| 336 | |a text |b txt |2 rdacontent | ||
| 337 | |a computer |b c |2 rdamedia | ||
| 338 | |a online resource |b cr |2 rdacarrier | ||
| 588 | 0 | |a Online resource; title from PDF title page (EBSCO, viewed December 29, 2015) | |
| 504 | |a Includes bibliographical references and index. | ||
| 505 | 0 | |a 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. | |
| 505 | 8 | |a 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. | |
| 505 | 8 | |a 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. | |
| 505 | 8 | |a 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. | |
| 505 | 8 | |a 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. | |
| 520 | |a 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. | ||
| 590 | |a Knovel |b ACADEMIC - Pharmaceuticals, Cosmetics & Toiletries | ||
| 650 | 0 | |a Pharmaceutical chemistry. | |
| 650 | 0 | |a Drugs |x Structure-activity relationships. | |
| 650 | 0 | |a Drug development. | |
| 650 | 0 | |a Drugs |x Design. | |
| 650 | 2 | |a Chemistry, Pharmaceutical | |
| 650 | 2 | |a Drug Design | |
| 650 | 6 | |a Chimie pharmaceutique. | |
| 650 | 6 | |a Médicaments |x Relations structure-activité. | |
| 650 | 6 | |a Médicaments |x Développement. | |
| 650 | 6 | |a Médicaments |x Conception. | |
| 650 | 7 | |a MEDICAL / Pharmacology |2 bisacsh | |
| 650 | 7 | |a Drug development |2 fast | |
| 650 | 7 | |a Drugs |x Design |2 fast | |
| 650 | 7 | |a Drugs |x Structure-activity relationships |2 fast | |
| 650 | 7 | |a Pharmaceutical chemistry |2 fast | |
| 700 | 1 | |a Kerns, Edward Harvel, |e author. | |
| 776 | 0 | 8 | |i Print version: |a Di, Li. |t Drug-like properties : concepts, structure design and methods from ADME to toxicity optimization. |d London, England : Academic Press, c2016 |h xx, 560 pages |z 9780128010761 |
| 856 | 4 | 0 | |u https://appknovel.uam.elogim.com/kn/resources/kpDLPCSDMA/toc |z Texto completo |
| 938 | |a EBSCOhost |b EBSC |n 1131105 | ||
| 938 | |a YBP Library Services |b YANK |n 12772168 | ||
| 994 | |a 92 |b IZTAP | ||