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Mass Spectrometry in Medicinal Chemistry. Applications in Drug Discovery. Methods and Principles in Medicinal Chemistry

  • ID: 2179685
  • Book
  • February 2007
  • 460 Pages
  • John Wiley and Sons Ltd
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In modern medicinal chemistry, drug assays (screens) often require that thousands of compounds be detected reliably and quickly. Mass spectroscopy–based pharmaceutical analysis is the key to improved high–throughput drug screening, rational drug design and the analysis of multiple ligand–target interactions. What is more, it can be set up to work with only minute amounts of material, allowing is use in miniaturized benchtop assay systems. Its ability to discern several compounds in a single sample has made it possible to analyze complex drug–target interactions that are not easily accessible with other techniques.

This first overview of the topic opens with a general introduction to the use of mass spectrometry in pharmaceutical screening, followed by a detailed description of recently developed analytical systems for use in the pharmaceutical laboratory.

Applications range from simple binding assays to complex screens of biological activity and systems containing multiple targets or ligands –– all highly relevant techniques in the early stages in drug discovery, from target characterization to hit and lead finding.

A ready reference for medicinal and organic chemists, spectroscopists, and those working in the pharmaceutical industry.
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Mass Spectrometry in Bioanalysis –

Methods, Principles and Instrumentation

Drug Screening Using Gel Permeation Chromatography Spin Columns Coupled with ESI–MS

ALIS: An Affinity Selection–Mass Spectrometry System for the Discovery and Characterization of Protein–Ligand Interactions

Library Screening Using Ultrafiltration and Mass Spectrometry

Continuous–Flow Systems for Ligand Binding and Enzyme Inhibition Assays Based on Mass Spectrometry

Frontal Affinity Chromatography –

Mass Spectrometry for Ligand Discovery and Characterization

MS–Binding Assays – an Alternative to Radioligand Binding

Laser Desorption Assays –


Tethering: Fragment–Based Drug Discovery by Mass Spectrometry

Interrogation of Noncovalent Complexes by ESI–MS: A Powerful Platform for High Throughput Drug Discovery

Quantification of Protein–Ligand Interactions in Solution by H/D Exchange (PLIMSTEX)

Protein–Targeting Drug Discovery Guided by Hydrogen/Deuterium Exchange Mass Spectrometry (DXMS)

Mass Spectrometry in Early Pharmacokinetic Investigations

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Klaus Wanner
Georg Höfner
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