Biomolecular NMR - an essential tool for drug discovery

by Ph.D., Ing., Václav Veverka

Several key stages in the knowledge-based drug discovery process require detailed information about targeted systems at the molecular level. This includes validation of selected proteins or protein-protein interactions and assessment of their druggability, identification of suitable small molecules with the desired inhibitory activity and detailed structural characterization of the sites of intervention. NMR spectroscopy was for a long time overshadowed by X-ray crystallography in drug discovery but with a recent shift in target selection towards more challenging protein-protein interactions it bounced back on stage. The particular strengths of the technique will be introduced from the biologists’ perspective and the benefits for drug discovery illustrated in the context of an actual epigenetic target.