Medicinal Chemistry

Prof. Dr. Christian Klein

Heidelberg University
Institute of Pharmacy and
Molecular Biotechnology
Im Neuenheimer Feld 364
69120 Heidelberg

Tel:  +49 (0)6221 - 54 6442
Fax: +49 (0)6221 - 54 6430


Design, Discover, Develop: Medicinal Chemistry

Welcome to the homepage of the Klein research group.

Our research focuses on small molecules (ligands) that interact with biological macromolecules, especially enzymes. We synthesize such small molecules and study their mode of action on a molecular level. This is usually done using isolated enzymes or other "targets" that have been generated in recombinant, microbiological expression systems such as E. coli or yeasts.

We also use various bioinformatical, chemoinformatical and molecular modeling methods to understand and possibly predict the pharmacological or biochemical interactions between small molecules and their biological binding partners. In collaboration with other groups, we determine three-dimensional structures of target-ligand complexes by x-ray crystallography.

While our methods are very similar to those used in the Pharmaceutical Industry, it can not be our prime interest to develop drugs for actual clinical use. In some cases, however, we collaborate with companies or research organizations on therapeutical approaches that may in fact lead to new, clinically used drugs.Usually, the main focus is on biological targets or medical conditions that are not adequately addressed by pharmaceutical companies.





Boldescu, V., Behnam, M.A.M., Vasilakis, N., Klein, C.D.* Broad-spectrum agents for flaviviral infections: dengue, Zika and beyond.
Nature Reviews Drug Discovery 2017, published online.


Publication in "SCIENCE":

Lei, J., Hansen, G.,  Nitsche, C., Klein, C.D., Zhang, L., Hilgenfeld, R.* Crystal structure of Zika virus NS2B-NS3 protease in complex with a boronate inhibitor.
Science, July 7th, 2016

See also:

Zika protease with inhibitor

Recent publication in the Journal of Medicinal Chemistry is FEATURED as ACS Editors' Choice Article and available as OPEN ACCESS.

Behnam, M., Nitsche, C., Boldescu, V., Klein, C.D.* The Medicinal Chemistry of Dengue Virus.
J. Med. Chem., 2016


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