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Pharmacoinformatics Research Group

Following a holistic pharmacoinformatic approach we combine multi-dimensional annotation, structural modelling of proteins, structure-based drug design, chemometric and in silico chemogenomic methods, statistical modelling and machine learning approaches to develop predictive computational systems for transporters and ion channels. The validation and optimisation of the obtained in silico models by strong links to experimental groups is an integral part of these activities. Furthermore, we aim at developing tools for in vitro to in vivo translation and for toxicity prediction. Research activities are complemented by strong educational activities, especially by coordinating the European PhD Programme in Pharmacoinformatics.

Latest News

Dr. Barbara Zdrazil recently received funding for a new FWF stand-alone project "Elucidating hepatic OATP-ligand interactions and selectivity" (P 29712).

Currently there is a PhD position available under her supervision. Please find more information about this job opportunity here.

Latest Publications

Goldmann D, Zdrazil B, Digles D, Ecker GF: "Empowering pharmacoinformatics by linked life science data.", J Comput Aided Mol Des., 9 Nov 2016 view online

Montanari F, Cseke A, Wlcek K, Ecker GF: "Virtual Screening of DrugBank Reveals Two Drugs as New BCRP Inhibitors", J Biomol Screen, 8 Jul 2016 view online

Latest Book Chapter

Edgar Jacoby*, Kamal Azzaoui, Stefan Senger, Emiliano Cuadrado Rodríguez, Mabel Loza, Barbara Zdrazil, Marta Pinto, Antony J. Williams, Victor de la Torre, Jordi Mestres, Olivier Taboureau, Matthias Rarey, Gerhard F. Ecker. Scientific requirements for the next generation semantic web-based chemogenomics and systems chemical biology molecular information system OPS, Computational Chemogenomics, 2013, December 3, Edgar Jacoby (Ed.), Pan Stanford Publishing

ISBN: 9789814411394

Available from: www.crcpress.com/product/isbn/9789814411394

Current Projects and Activities

See "Projects"-section on the left for detailed information.

The Open PHACTS consortium, funded by the Innovative Medicines Initiative (IMI), will reduce the barriers to drug discovery by applying semantic technologies to available data resources, creating an Open Pharmacological Space.
Integrating bioinformatics and chemoinformatics approaches for the development of expert systems allowing the in silico prediction of toxicities.


K4DD - Kinetics for Drug Discovery

EU-ToxRisk - An Integrated European 'Flagship' Program Driving Mechanism-based Toxicity Testing and Risk Assessment for the 21st Century 

Transmembrane Transporters in Health and Disease – Sonderforschungsbereich (research cluster) funded by the Austrian Science Fund.

Molecular Drug Targets – a PhD/doctoral program in pharmaceutical sciences, funded by the Austrian Science Fund.
EUROPIN – A European Pharmacoinformatics Initiative: Developing a European PhD curriculum in Pharmacoinformatics

We are grateful for support provided by

Pharmacoinformatics Research Group
Univ.-Prof. Dr. Gerhard F. Ecker
Department für Pharmazeutische Chemie
Universität Wien

Althanstraße 14
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