The capabilities and limitations of NMR methods for the investigation of ligand-receptor interactions were presented. Two of our case-studies of NMR-assisted discovery of novel inhibitors of attractive antibacterial targets were used to explain the application of ligand-based and protein-based NMR methods. Special attention was given to the advantage of NMR spectroscopy for the studies of dynamic processes in molecular complexes. The influence of conformational dynamics on the stability of ligand-receptor interactions and on the inhibitory activities of novel ligands was presented.
B.04 Guest lecture
COBISS.SI-ID: 4174618The NMR studies of configuration and conformation of selected drug derivatives from the LEK pharmaceuticals d.d. were performed to prove the differences in their molecular structure. The application of high magnetic fields and determination of molecular spatial connectivities were crucial for the elucidation of type of molecular framework transformation.
F.17 Transfer of existing technologies, know-how, methods and procedures into practice
COBISS.SI-ID: 4309530