SAR BY NMR: Fragment-based drug discovery

Nuclear magnet resonance (NMR) is a powerful technique to detect and characterize 3D structures and dynamics of biomacromolecules and their interactions. It has emerged as an excellent tool for identifying small organic molecules that weakly bind to a target macromolecule and will then be modified or added to another small molecule to act as a potent inhibitor. The Chemical Genomics Core facility is equipped with a 600 MHz solution NMR with cryo-probe for structure elucidation of biomolecules and interaction studies. In this seminar, Dr. Rai will explain how to use NMR as a tool for fragment-based drug discovery and how to utilize this approach to identify and validate initial hits and generate leads.