NMR Spectroscopy in Drug Development and Analysis

U. Holzgrabe, I. Wawer, B. Diehl NMR Spectroscopy in Drug Development and Analysis Since the development of the NMR spectrometer in the 1950s, NMR spectra have been widely used for the elucidation of the 2D structure of newly synthesized and natural compounds. In the 1980s, high resolution NMR spectrometer (> 300 MHz) and 2D experiments were introduced, which opens up the possibility to determine the 3D structure of large molecules, especially biomolecules. However, NMR spectroscopy has been rarely applied to drug analysis. This book wants to illustrate the power and versatility of NMR spectroscopy in the determination of impurities in and the content of drugs, the composition of polymer excipients, the characterization of isomeric drug mixtures, the complexation of drugs with small–size components or ions, and the behavior of drugs in acid and basic solution. In addition, NMR spectroscopy and especially the hyphenated technique with HPLC is shown to be a powerful tool to measure a drug and its metabolites in various body fluids. The solid state NMR technique can give information on the structure, especially the conformation of drugs and excipients in drug formations. Recently, SAR by NMR, introduced by Fesik, impressively demonstrated the potential of NMR spectroscopy in drug development and in the characterization of the interaction between large molecules and ligands. The complexation between proteins, lipids and cyclodextrins with drugs is described. Finally, NMR imaging (MRI and MRS) can be used to characterize the liberation of drugs from a drug formulation. Furthermore, the distribution of substances in plants, in animals, in tissues and in humans can be visualized by imaging. Taken together, this book covers all aspects of drug analysis.

Spis treści:
Introduction
Regulatory Remarks on Drug Analysis
Analysis of Drugs
pH–Dependent NMR Measurements
Complexation of Drugs with Small Molecules
Determination of the Isomeric Composition of Drugs
On–Line Coupling of Chromatographic Separation Techniques with NMR Spectroscopy
NMR of Body Fluids
Solid–State NMR in Drug Analysis
NMR Studies of Protein–Ligand Interactions for Drug Design
Complexation of Drugs with Large Molecules
Ligand–Cyclodextrin Complexes
NMR Imaging
Concluding Remarks

Okładka tylna:
U. Holzgrabe, I. Wawer, B. Diehl NMR Spectroscopy in Drug Development and Analysis Since the development of the NMR spectrometer in the 1950s, NMR spectra have been widely used for the elucidation of the 2D structure of newly synthesized and natural compounds. In the 1980s, high resolution NMR spectrometer (> 300 MHz) and 2D experiments were introduced, which opens up the possibility to determine the 3D structure of large molecules, especially biomolecules. However, NMR spectroscopy has been rarely applied to drug analysis. This book wants to illustrate the power and versatility of NMR spectroscopy in the determination of impurities in and the content of drugs, the composition of polymer excipients, the characterization of isomeric drug mixtures, the complexation of drugs with small–size components or ions, and the behavior of drugs in acid and basic solution. In addition, NMR spectroscopy and especially the hyphenated technique with HPLC is shown to be a powerful tool to measure a drug and its metabolites in various body fluids. The solid state NMR technique can give information on the structure, especially the conformation of drugs and excipients in drug formations. Recently, SAR by NMR, introduced by Fesik, impressively demonstrated the potential of NMR spectroscopy in drug development and in the characterization of the interaction between large molecules and ligands. The complexation between proteins, lipids and cyclodextrins with drugs is described. Finally, NMR imaging (MRI and MRS) can be used to characterize the liberation of drugs from a drug formu lation. Furthermore, the distribution of substances in plants, in animals, in tissues and in humans can be visualized by imaging. Taken together, this book covers all aspects of drug analysis.