Physicochemical and Biomimetic Properties in Drug Discovery: Chromatographic Techniques for Lead Optimization

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9781118152126: Physicochemical and Biomimetic Properties in Drug Discovery: Chromatographic Techniques for Lead Optimization
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Demonstrating how and why to measure physicochemical and biomimetic properties in early stages of drug discovery for lead optimization, Physicochemical and Biomimetic Properties in Drug Discovery encourages readers to discover relationships between various measurements and develop a sense of interdisciplinary thinking that will add to new research in drug discovery. This practical guide includes detailed descriptions of state-of-the-art chromatographic techniques and uses real-life examples and models to help medicinal chemists and scientists and advanced graduate students apply measurement data for optimal drug discovery.

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Explains how to take full advantage of chromatography to find successful drug candidates

Based on a course taught by the author for many years, this book demonstrates how to use chromatography to measure the physicochemical and biomimetic properties of drug candidates in the early stages of drug discovery in order to fully optimize drug leads. Readers will learn how to interpret chromatographic retention data using various models in order to estimate the in vivo distribution behavior of drugs. The property data obtained by these chromatographic measurements can then be used to select and prioritize compounds for further in vitro and in vivo studies at the early stages of the drug discovery process.

Physicochemical and Biomimetic Properties in Drug Discovery provides clear explanations and guidance to facilitate reproduction of the chromatographic measurements discussed in the book in any laboratory equipped with HPLC. It begins with a quick review of the drug discovery process. Next, it covers:

  • Drug-likeness and the physicochemical property space of known drugs
  • Basic pharmacokinetic properties
  • Principles and methods of chromatography for the application of property measurements
  • Molecular physicochemical properties that influence absorption and distribution: lipophilicity, solubility, permeability, and acid dissociation constant (pKa)
  • Models with measured physicochemical and biomimetic chromatographic descriptors: absorption, distribution, and drug efficiency

The final chapter is dedicated to applications and examples of the use of chromatography in drug discovery.

Throughout the book, real-life examples demonstrate how to optimize the use of chromatography to obtain successful drug candidates. Each chapter concludes with a series of questions, with answers in the appendix, making this book ideal for students as well as researchers in drug discovery.

About the Author:

KLARA VALKO is an Investigator in the Analytical Chemistry Department of Molecular Discovery Research at GlaxoSmithKline. Dr. Valko has more than thirty years of experience in HPLC, GC, and LC/MS. She also has more than ten years of experience teaching physicochemical measurements and ADME optimization tools at the UCL School of Pharmacy. Currently, Dr. Valko is an Honorary Professor, leading the Physchem/ADME module for a drug discovery MSc course.

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