Applications of NMR Spectroscopy

Applications of NMR Spectroscopy

Volume: 3

Indexed in: EBSCO, Ulrich's Periodicals Directory

Applications of NMR Spectroscopy is a book series devoted to publishing the latest advances in the applications of nuclear magnetic resonance (NMR) spectroscopy in various fields of organic ...
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Monitoring Intermolecular and Intramolecular Interactions by NMR Spectroscopy

Pp. 180-266 (87)

Juliana Fattori, Fábio H.S. Rodrigues, João G.M. Pontes, Ana Paula Espíndola and Ljubica Tasic

Abstract

Intermolecular and intramolecular interactions are crucial for almost all processes in chemistry, biology and biochemistry, and one of the most powerful techniques for monitoring these interactions is NMR spectroscopy. Many NMR experiments study biomolecules or small organic molecules under non-natural conditions, but these are still very similar to the native environments. In this chapter, our aim is to discuss NMR spectroscopy applications to drug design, enzyme inhibition, and the monitoring of host-guest interactions during the development of some novel drug formulations. In addition, other important protein-ligand and proteinprotein interactions will be discussed. Two NMR approaches are conducted for monitoring these interactions: one of these is based on the isotopic labeling of proteins and the other is based on the study of small molecules. Both techniques have a high impact on the examined cases. Finally, intermolecular and intramolecular interactions are used to study different metabolic pathways, and one very important NMR spectroscopy application includes metabolomics, where elucidation of characteristic chemical fingerprints for various biochemical processes can be achieved; this technique can be used to compare symptomatic, infected and healthy subjects.

Keywords:

CSP, DOSY, HSQC, Molecular interactions, NMR screening, NOESY, Protein-based NMR, Relaxation, ROESY, Small-molecule-based NMR, STD and metabolomics.

Affiliation:

Organic Chemistry Department, Chemistry Institute, State University of Campinas, Campinas, Sao Paulo, Brazil.