Mass Spectrometry in Medicinal Chemistry: Applications in Drug Discovery covers mass spectrometry-based pharmaceutical analysis and is the key to improved high-throughput drug screening, rational drug design and analysis of multiple ligand-target interactions.

This ready reference 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.

Contents

Introduction to MS in bioanalysis

1. Mass Spectrometry in Bioanalysis – Methods, Principles and Instrumentation

Studying target-ligand interactions analyzing the ligand by MS

2. Drug Screening Using Gel Permeation Chromatography Spin Columns Coupled with ESI-MS
3. ALIS: An Affinity Selection–Mass Spectrometry System for the Discovery and Characterization of Protein–Ligand Interactions
4. Library Screening Using Ultrafiltration and Mass Spectrometry
5. Continuous-flow Systems for Ligand Binding and Enzyme Inhibition Assays Based on Mass Spectrometry
6. Frontal Affinity Chromatography – Mass Spectrometry for Ligand Discovery and Characterization
7. MS Binding Assays – An Alternative to Radioligand Binding
8. Laser Desorption Assays – MALDI-MS, DIOS-MS, and SAMDI-MS

Studying target-ligand interactions analyzing intact target-ligand complexes by MS

9. Tethering: Fragment-based Drug Discovery by Mass Spectrometry
10. Interrogation of Noncovalent Complexes by ESI-MS: A Powerful Platform for High Throughput Drug Discovery

Studying target-ligand interactions analyzing the target binding site by MS

11. Quantification of Protein–Ligand Interactions in Solution by Hydrogen/Deuterium Exchange (PLIMSTEX)
12. Protein-targeting Drug Discovery Guided by Hydrogen/Deuterium Exchange Mass Spectrometry (DXMS)

MS in early pharmacokinetics

13. Mass Spectrometry in Early Pharmacokinetic Investigations

Index

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