Cheminformatics

Cheminformatics deals with the use of computational techniques to understand the relationship between biological activity and the structure of an organic compound. Cheminformatics is an interdisciplinary field combining chemistry, statistics, informatics and molecular biology.

In our group, we are interested in the design and analysis of novel biologically active compounds that can be used as drugs or chemical probes. We closely cooperate with the Laboratory of Cell Differentiation lead by Dr. P. Bartůněk from the Institute of Molecular Genetics AS CR. Together, we investigate the role of human nuclear receptors in the formation and treatment of tumour diseases.

The Laboratory of Cell Differentiation operates the National Infrastructure for Chemical Biology CZ-OPENSCREEN, which is the national node of the European infrastructure EU-OPENSCREEN. As one of the  members of this infrastructure, our group is responsible for cheminformatics and data analysis. Involvement in the chemical biology infrastructure provides us with the access to interesting European projects and the  permanent source of funding for our research activities.