Univ.-Prof. Dr. Gerhard Ecker
Head of group
His main research interests are ligand- and structure-based drug design with focus on transmembrane transport proteins, prediction of on- and off-kinetics, as well as semantic data integration.
Contact hours for students: Monday 13:00, UZA2, 2E405 (please send an E-mail to arrange an appointment at least three days in advance!)
Mag. pharm. Dr. Lars Richter, Postdoc
During his doctoral studies he gained a deep insight into structure-based methodologies, such as homology modeling and molecular docking. Currently he is more involved in research activities using chemoinformatics tools and infering knowledge from data. These skills are particularly applied in the K4DD IMI project.
DI Dr. Melanie Grandits, Postdoc
Melanie has gained a deep insight into molecular dynamics simulations and docking methods during her doctoral studies. Currently she is using these techniques to study the human P-glycoprotein by investigating the kinetics as part of the K4DD project.
Mag. pharm. Dr. Barbara Zdrazil, Postdoc
Barbara's main research interests are concentrated on data mining and data integration for answering complex drug discovery questions across multiple domains, the concepts of polypharmacology and selectivity, as well as ligand- and structure based modelling techniques with a focus on off-targets (such as ABC transporters, Organic Anion Transporting Polypetides etc.).
Anna Cseke, MSc., PhD student
Anna is currently participating in a project which investigates the inhibitor selectivity of newly synthesized compounds for the BCRP and P-gp ABC multidrug transporters.
Mag. pharm. Eva Hellsberg, PhD student
Eva is working on the SLC6 transporters SERT and DAT which are responsible for neurotransmitter transport in the brain. Understanding the molecular mechanism why some interacting ligands inhibit the natural neurotransmitter reuptake and others cause a rapid release of the same is of special interest. The project is embedded in the moltag PhD program.
Floriane Montanari, PhD student
Floriane is working on human liver ABC transporters, focusing essentially on BCRP inhibition. Predictive ligand-based models and homology modelling will shed light on the mechanism of inhibition of those transporters. A comparative study of inhibition of other liver transporters will help understanding the specificity and promiscuity of some inhibitors.
Sankalp Jain, MSc., PhD student
Currently he is working with ABC transporter. He is developing predictive in-silico models (regression and classification models) by applying different machine learning techniques. He is also doing homology modelling for Multidrug resistance protein 3 and would be subsequently doing some docking studies also.
Mag. pharm. Stefanie Kickinger, PhD student
Stefanie is working on homology models for the GABA transporter (GAT). These models are used to explain structure activity relationship of GAT inhibitors. In the future, she will aslo focus on GABAA receptor and GAT selectivity profiling.
Eleni Kotsampasakou, MSc., PhD student
After developing in silico models for organic anion transporting polypeptides 1B1 and 1B3 (OATP1B1 and OATP1B3) inhibition, Eleni tries to combine liver transporter interaction profiles and physicochemical properties to generate classification models for hepatotoxicity endpoints: hyperbilirubinemia, cholestasis and drug-induced liver injury.
Jana Gurinova, Diploma student
Jana is working within the EU-ToxRisk project focusing on toxicity prediction by using workflows and integrating data from various resources. She became familiar with workflows during her diploma thesis during which she analyzed targets involved in orphan diseases.
Bernhard Knasmüller, BSc.
Bernhard is a computer science Master student and has developed the data management system for the K4DD EU-project, where he is now responsible for maintaining that system and providing data analysis tools for the other project members. Currently he is also focusing on the automation of chemoinformatics workflows and their integration into web services.
Univ.-Prof. Dr. Gerhard F. Ecker
Department für Pharmazeutische Chemie
T: +43-1-4277-551 10