Gerhard Ecker

Gerhard F. Ecker is an Austrian medicinal chemist and expert in the fields of Pharmacoinformatics at the University of Vienna, where he is the Professor for Pharmacoinformatics and Head of the Pharmacoinformatics Research Group at the Department of Medicinal Chemistry. He also coordinates the research focus "Computational Life Sciences" of the Faculty of Life Sciences.

Gerhard F. Ecker
Known forMedicinal Chemistry
Open PHACTS[1]
Scientific career
InstitutionsUniversity of Vienna


Ecker received his doctorate in natural sciences from the University of Vienna in 1991,[2] became appointed Associate Professor for Medicinal Chemistry in 1998 and Full Professor for Pharmacoinformatics in 2009.[3]

Ecker is Editor of Molecular Informatics[4] and coordinates the EUROPIN PhD programme in Pharmacoinformatics. Currently he is also President of the European Federation for Medicinal Chemistry.[5]


Ecker's research focuses on computational drug design which not only led to the identification of highly active propafenone-type inhibitors of P-glycoprotein,[6][7][8] but also paved the way for development of new descriptors and virtual screening approaches for identification of new scaffolds active at P-gp. With the increasing knowledge on the importance of P-gp for ADME, his interest moved towards the prediction of P-gp substrate properties.[9] Around 2010 he extended the studies also on other antitargets, such as the hERG potassium channel,[10] as well as on the serotonin transporter,[11] the GABA receptor[12] and the insulin receptor.[13]


  1. Williams, A. J.; Harland, L.; Groth, P.; Pettifer, S.; Chichester, C.; Willighagen, E. L.; Evelo, C. T.; Blomberg, N.; Ecker, G.; Goble, C.; Mons, B. (2012). "Open PHACTS: Semantic interoperability for drug discovery". Drug Discovery Today. 17 (21–22): 1188–1198. doi:10.1016/j.drudis.2012.05.016. PMID 22683805.
  2. His university-hosted CV - "Archived copy". Archived from the original on 2011-09-18. Retrieved 2011-12-07.CS1 maint: archived copy as title (link) - this cross-references with his publications on Google Scholar:
  3. Bio from - for Transporters as Drug Carriers: Structure, Function, Substrates, Volume 44 -
  4. Molecular Informatics
  5. European Federation for Medicinal Chemistry
  6. Jabeen, I.; Wetwitayaklung, P.; Klepsch, F.; Parveen, Z.; Chiba, P.; Ecker, G. F. (2011). "Probing the stereoselectivity of P-glycoprotein—synthesis, biological activity and ligand docking studies of a set of enantiopure benzopyrano\3,4-b]\1,4]oxazines". Chemical Communications. 47 (9): 2586–2588. doi:10.1039/C0CC03075A. PMID 21173990.
  7. Sugano, K.; Kansy, M.; Artursson, P.; Avdeef, A.; Bendels, S.; Di, L.; Ecker, G. F.; Faller, B.; Fischer, H.; Gerebtzoff, G. G.; Lennernaes, H.; Senner, F. (2010). "Coexistence of passive and carrier-mediated processes in drug transport". Nature Reviews Drug Discovery. 9 (8): 597–614. doi:10.1038/nrd3187. PMID 20671764.
  8. Klepsch, F.; Ecker, G. F. (2010). "Impact of the Recent Mouse P-Glycoprotein Structure for Structure-Based Ligand Design". Molecular Informatics. 29 (4): 276–86. doi:10.1002/minf.201000017. PMC 6422301. PMID 27463054.
  9. Parveen, Z.; Stockner, T.; Bentele, C.; Pferschy, S.; Kraupp, M.; Freissmuth, M.; Ecker, G. F.; Chiba, P. (2010). "Molecular Dissection of Dual Pseudosymmetric Solute Translocation Pathways in Human P-Glycoprotein". Molecular Pharmacology. 79 (3): 443–452. doi:10.1124/mol.110.067611. PMC 6422312. PMID 21177413.
  10. Thai, K. M.; Windisch, A.; Stork, D.; Weinzinger, A.; Schiesaro, A.; Guy, R. H.; Timin, E. N.; Hering, S.; Ecker, G. F. (2010). "The hERG Potassium Channel and Drug Trapping: Insight from Docking Studies with Propafenone Derivatives". ChemMedChem. 5 (3): 436–442. doi:10.1002/cmdc.200900374. PMID 20146282.
  11. Sarker, S.; Weissensteiner, R.; Steiner, I.; Sitte, H. H.; Ecker, G. F.; Freissmuth, M.; Sucic, S. (2010). "The High-Affinity Binding Site for Tricyclic Antidepressants Resides in the Outer Vestibule of the Serotonin Transporter". Molecular Pharmacology. 78 (6): 1026–1035. doi:10.1124/mol.110.067538. PMC 4513247. PMID 20829432.
  12. Khom, S.; Strommer, B.; Ramharter, J.; Schwarz, T.; Schwarzer, C.; Erker, T.; Ecker, G. F.; Mulzer, J.; Hering, S. (2010). "Valerenic acid derivatives as novel subunit-selective GABAA receptor ligands -in vitro and in vivo characterization". British Journal of Pharmacology. 161 (1): 65–78. doi:10.1111/j.1476-5381.2010.00865.x. PMC 2962817. PMID 20718740.
  13. Search Results for author Ecker GF on PubMed.
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