Jan 16, 2019 – NMR Topical Group Meeting

The NMR is an invaluable technique that can be implemented at the different stages of drug discovery process, ranging from identification of new drug lead to optimization of their binding pharmacophore and establishment of their structure-activity relationships. My research interests have evolved around different aspects of NMR application to drug discovery. To date I worked in two different research areas: biological testing, isolation, structure elucidation of natural products and development of Intermolecular NOEs for Pharmacophore Mapping (INPHARMA ) method enabling determination of the ligand binding mode. Therefore, in the first part of my talk I will demonstrate the extended scope of natural products isolation and elucidation to very limited quantities of pure metabolites. In the second part of my talk I will cover application of INPHARMA method for the identification of ligand binding poses with accuracy high enough to be applicable for pharmacophore design and virtual screening.