Mag. Dr. Barbara Zdrazil, Privatdoz.


We are addressing fundamental biomedical questions by integrating large-scale data analyses, bioactivity profiling, and computational modeling (both ligand- and structure-based). By applying data science approaches together with computational molecular design techniques, a more global picture of the effect of small molecules in biological systems is generated

We develop automatized computational techniques to link data and generate predictive models. We are interested in modeling uptake transporters of the Solute Carrier Family (SLC) such as hepatic Organic-Anion Transporting Polypeptides (OATPs), and Organic Cation Transporters (OCTs). These transporters may cause drug-drug interactions, drug-food interactions, and toxicity. Understanding the basis for ligand recognition and selectivity is therefore a major research aim of my group. In addition, we are analyzing data on a large scale by e.g. extracting time trends (e.g., of chemical scaffolds, targets, diseases) from the corpus of medicinal chemistry literature since these trends can inform critical decisions in drug discovery.