Structure-based drug discovery

In our research, we use chemoinformatics and bioanalytical methods to develop new, pharmacologically active molecules. The aim is to maintain health into old age and to be able to treat common diseases more effectively and in a more personalized way.

Our research group “Structure-based drug discovery” is led by Dr. Peter Bellstedt. He studied biochemistry at the Friedrich Schiller University in Jena (Germany) and conducted research on the pathogenesis of Huntington’s disease and spinocerebellar ataxia type 3 at the Institute of Medical Genetics at the University Hospital in Tübingen. After his doctorate at the Leibniz Graduate School on Aging and Age-Related Diseases in the field of structural biology and DNA repair, he became head of the nuclear magnetic resonance spectroscopy (NMR) at the Faculty of Chemical and Earth Sciences in Jena and, with 10 spectrometers and an annual sample throughput of 30,000 samples, was, together with his interdisciplinary team, the central point of contact for all chemical and biochemical questions relating to NMR-based structure elucidation/validation. In March 2022, Dr. Bellstedt moved to Zurich as a research group leader at the Institute of Clinical Chemistry, combining special analytics with state-of-the-art chemoinformatics methods for the development of new active substances. Currently, his research group focuses on the development of a compound for the supportive treatment of colorectal cancer and on the modulation of lipid synthesis in specific neuropathies.

Method repertoire:

  • In silico screening and docking of virtual compound libraries
  • Molecular dynamics simulations and prediction of binding affinities
  • Implementation of artificial intelligence (machine learning) for secondary structure prediction of proteins (e.g., HSCQ2Struc)
  • Bacterial overexpression and purification of recombinant protein targets
  • Development and optimization of high-throughput activity assays
  • Interaction studies and characterization of ligand-target binding (surface plasmon resonance and NMR spectroscopy, microthermophoresis, DSF/Thermofluor)
  • Metabolomics and metabolic stability assessment of drug candidates (mass spectrometry)

If you are interested in our research, please contact Dr. rer. nat. Peter Bellstedt or visit our group website.

Research group