NMR screening and studies of target-ligand interactions

Abstract

Nuclear magnetic resonance (NMR) spectroscopy is one of the leading biophysical methods used in the search for and design of physiologically active compounds considered as potential drugs. The review concerns modern NMR techniques used to study the binding of low-molecular-mass compounds to biomacromolecular targets. The most promising methods of NMR screening and strategies for rational lead design are discussed. They were used to design drugs that have been approved for the use in medical practice or are in the final stages of clinical trials. Examples are given of the application of the fragment-based drug design and NMR screening techniques to the design of novel drugs.