chemistry-cs-2020

NMR Role in Rational Drug Design

The discovery of drugs and the process by which they are developed both heavily rely on NMR spectroscopy. In order to find high-affinity ligands for biologically significant macromolecules, elucidate ligand-binding sites, and identify small molecules with a wide range of binding affinities, NMR screening experiments are very efficient and versatile. As a result, they are proving to be a useful and reliable tool in the structure-based drug design process. As it can illuminate the molecular structure of the biomolecules, explain and validate the structure of the drugs, and provide structural details on the interaction of the biomolecules (target) with small molecule compounds, it is very effective in the discovery and development of new drugs. As a result, NMR spectroscopy is a great tool for pharmaceutical research