NMR Spectroscopy
Today pharmaceutical research is based on the exact knowledge of molecular structures of drugs and their biological targets. Certainly, NMR spectroscopy is one of the most straight forward method for identification and characterization of new structures giving information on constitution, configuration and conformation of the target molecules.
Thus, NMR spectroscopic techniques and resulting molecular competence are well established at the Centre of Pharmaceutical Sciences giving a strong inpact to current research activities in drug discovery and drug development.
Fields of pharmaceutical research based on NMR spectroscopic structure elucidations:
- Drug Synthesis: Determination of the constitution und configuration of drug candiates and intermediates
- Drugs from Nature: Identification and structure determination of natural occuring active principles
- Drug Analytics: Identification and purity analysis of active incredients („impurity profiling“)
- BioNMR: Protein and protein-ligand 3D-structure elucidation
- Protein dynamics: Elucidation of protein and protein-ligand dynamics, allosteric couplings, and dynamic structural ensembles
- Fragment-Based Drug Discovery: NMR screening of fragment libraries
- Clinical Pharmacy: Structure determination of metabolites
- Pharmacoinformatics: Conformation analysis of ligands
200 MHz NMR spectrometer
For routinous NMR analysyis, availabe for each PhD coworker, SPECTROSPIN 200 magnet system, DUAL 13C/1H probe, AVANCE III HD console, SAMPLECASE autosampler for 24 samples.
400 MHz NMR spectrometer
1D and 2D methods for advanced structure determinations, ASCEND 400 magnet system, BBFO-PLUS probe, AVANCE III console, SampleXpress autosampler for 60 samples
500 MHz NMR spectrometer (BBOF)
1D and 2D methods for advanced structure determinations, high resolution NMR, Ultrashield magnet system, BBOF probe, Avance III colsole, SampleXpress autosampler for 60 samples.
500 MHz NMR spectrometer (TCI)
1D, 2D and 3D methods for advanced structure determinations, high resolution NMR, enhanced sensitivity, ASCEND 500 magnet system, Prodigy CryoProbe (TCI), AVANCE III HD console, SampleJet 5 x 96 well plates 3mm tubes + 99 x single 5mm tubes .
Under construction !
700 MHz NMR spectrometer
1D, 2D and 3D methods for advanced structure determinations, high resolution NMR, Ascend 700 magnet system, Helium CryoProbe (TCI), Avance NEO console, SampleJet.
Under construction !
Contact and Support:
Ass.-Prof. Dr. Julien Orts (Scientific Support)
Ao. Univ.-Prof. Mag. Dr. Ernst Urban (Scientific Support)
Dr. Nicolas Coudevylle (Scientific Support)
Dr. Thomas Seidel (IT Support)