320003 VO Biophysical Pharmaceutical Chemistry (2012W)

the thermodynamic basis for interaction of drugs with biomolecules; interaction forces involved in drug-biomolecule interaction (ionic-, dipol-dipol-, electronendonor/acceptor-, hydrophobic-, Van der Waals-interactions, hydrogen bonding) and methods to measure these forces (microcalorimetrie, ORCD, binding studies), determination of the structure of ligand-protein complexes (X-ray crystallography, NMR-spectroscopy), strategies for identification of lead-compounds (serendipity, transition state mimicry, high throughput screening, in silico screening), optimisation of lead compounds - rational drug design (statistical background, 2D- and 3D- structure activity relationship analysis, methods used in quantitative structure activity relationship studies), structure based design (docking, SAR by NMR, de novo design)