Paramagnetism in Experimental Biomolecular NMR
Chapter 9: Paramagnetic NMR in Drug Discovery
Published:03 Aug 2018
Special Collection: 2018 ebook collectionSeries: New Developments in NMR
Erhan C. Cetiner, Harald Schwalbe, 2018. "Paramagnetic NMR in Drug Discovery", Paramagnetism in Experimental Biomolecular NMR, Claudio Luchinat, Giacomo Parigi, Enrico Ravera
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NMR spectroscopy plays a pivotal role for drug discovery since it can quantify interactions between ligands and molecular targets including proteins, DNA and RNA. Therefore, NMR methods can be used to gain structural insight into ligand-target complexes or to identify binding of ligands. However, its usage is limited due to factors like low sensibility, high expenditure of time or the necessity for isotope labelling. This chapter focuses on paramagnetic NMR methods and how they can overcome, at least partially, those limitations. Here, both methods for structural characterisation of ligand-target complexes and screening methods will be discussed in comparison to the diamagnetic alternative approaches, including methods based on paramagnetic relaxation enhancement, pseudo contact shift or hyperpolarisation.