Drug-like Properties: Concepts, Structure Design And Methods From Adme To Toxicity Optimization by Li DiDrug-like Properties: Concepts, Structure Design And Methods From Adme To Toxicity Optimization by Li Di

Drug-like Properties: Concepts, Structure Design And Methods From Adme To Toxicity Optimization

byLi Di, Edward H KernsEditorLi Di

Hardcover | January 13, 2016

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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.

  • Provides a comprehensive and valuable working handbook for scientists and students in medicinal chemistry
  • Includes expanded coverage of pharmacokinetics fundamentals and effects
  • Contains updates throughout, including the authors' recent work in the importance of solubility in drug development; new and currently used property methods, with a reduction of seldom-used methods; and exploration of computational modeling methods
Li Di is an Associate Research Fellow at Pfizer, USA
Title:Drug-like Properties: Concepts, Structure Design And Methods From Adme To Toxicity OptimizationFormat:HardcoverDimensions:580 pages, 9.41 × 7.24 × 0.98 inPublished:January 13, 2016Publisher:Academic PressLanguage:English

The following ISBNs are associated with this title:

ISBN - 10:0128010762

ISBN - 13:9780128010761

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Table of Contents

Chapter 1: Introduction

Chapter 2: Benefits of Property Assessment and Good Drug-Like Properties

Chapter 3: In Vivo Environments Affect Drug Exposure

Chapter 4: Prediction Rules for Rapid Property Profiling from Structure

Chapter 5: Lipophilicity

Chapter 6: pKa

Chapter 7: Solubility

Chapter 8: Permeability

Chapter 9: Transporters

Chapter 10: Blood-Brain Barrier

Chapter 11: Metabolic Stability

Chapter 12: Plasma Stability

Chapter 13: Solution Stability

Chapter 14: Plasma and Tissue Binding

Chapter 15: Cytochrome P450 Inhibition

Chapter 16: hERG Blocking

Chapter 17: Toxicity

Chapter 18: Integrity and Purity

Chapter 19: Pharmacokinetics

Chapter 20: Lead Properties

Chapter 21: Strategies for Integrating Drug-Like Properties into Drug Discovery

Chapter 22: Methods for Profiling Drug-Like Properties: General Concepts

Chapter 23: Lipophilicity Methods

Chapter 24: pKaMethods

Chapter 25: Solubility Methods

Chapter 26: Permeability Methods

Chapter 27: Transporter Methods

Chapter 28: Blood-Brain Barrier Methods

Chapter 29: Metabolic Stability Methods

Chapter 30: Plasma Stability Methods

Chapter 31: Solution Stability Methods

Chapter 32: CYP Inhibition Methods

Chapter 33: Plasma and Tissue Binding Methods

Chapter 34: hERG Methods

Chapter 35: Toxicity Methods

Chapter 36: Integrity and Purity Methods

Chapter 37: Pharmacokinetic Methods

Chapter 38: Diagnosing and Improving Pharmacokinetic Performance

Chapter 39: Prodrugs

Chapter 40: Effects of Properties on Biological Assays

Chapter 41: Formulation