Publications, Patents, Books and Book Chapters


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189 Results
Ecker, G & Thai, KM 2008, 'A binary QSAR model for classification of hERG potassium channel blockers' Bioorganic & Medicinal Chemistry, vol 16, no. 16, pp. 4107-4119.

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Jurik, A, Zdrazil, B, Holy, M, Stockner, T, Sitte, HH & Ecker, G 2015, 'A Binding Mode Hypothesis of Tiagabine Confirms Liothyronine Effect on γ-Aminobutyric Acid Transporter 1 (GAT1)' Journal of Medicinal Chemistry, vol 58, no. 5. DOI: 10.1021/jm5015428

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Ecker, G, Chiba, P, Schaper, K-J & Hitzler, M 1998, 'A combined Hansch/Free-Wilson approach as predictive tool in QSAR studies on propafenone-type modulators of multidrug resistance' Archiv der Pharmazie, vol 331, pp. 233-240.

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Blaschke, M, McKinnon, R, Nguyen, CH, Holzner, S, Zehl, M, Atanasov, AG, Schelch, K, Krieger, S, Diaz, R, Frisch, R, Feistel, B, Jäger, W, Ecker, GF, Dirsch, VM, Grusch, M, Zupko, I, Urban, E, Kopp, B & Krupitza, G 2015, 'A eudesmane-type sesquiterpene isolated from Pluchea odorata (L.) Cass. combats three hallmarks of cancer cells: Unrestricted proliferation, escape from apoptosis and early metastatic outgrowth in vitro' Mutation Research: fundamental and molecular mechanisms of mutagenesis, vol 777, pp. 79-90. DOI: 10.1016/j.mrfmmm.2015.04.011

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Sase, A, Aher, YD, Saroja, SR, Ganesan, MK, Sase, S, Holy, M, Höger, H, Bakulev, V, Ecker, GF, Langer, T, Sitte, HH, Leban, J & Lubec, G 2016, 'A heterocyclic compound CE-103 inhibits dopamine reuptake and modulates dopamine transporter and dopamine D1-D3 containing receptor complexes' Neuropharmacology, vol 102, pp. 186-196. DOI: 10.1016/j.neuropharm.2015.07.039

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Annibali, D, Ecker, G, Fleischhacker, W, Helml, T, Holzer, W & Noe, C 2000, 'A method for the synthesis of 2,3-disubstituted 2,3-dihydrobenzofurans' Monatshefte für Chemie: an international journal of chemistry, vol 131, no. 4, pp. 375-382. DOI: 10.1007/s007060050318

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Michl, J, Scharinger, C, Zauner, M, Kasper, S, Freissmuth, M, Sitte, HH, Ecker, GF & Pezawas, L 2014, 'A multivariate approach linking reported side effects of clinical antidepressant and antipsychotic trials to in vitro binding affinities' European Neuropsychopharmacology, vol 24, no. 9, pp. 1463-1474. DOI: 10.1016/j.euroneuro.2014.06.013

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Neuhaus, W, Ölzant, S, Fringeli, UP, Ecker, G & Noe, C 2006, 'A novel flow based hollow-fiber blood-brain barrier in vitro model with immortalised cell line PBMEC/C1-2' Journal of Biotechnology, vol 125, no. 1, pp. 127-141. DOI: 10.1016/j.jbiotec.2006.02.019

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Fleischhacker, W, Ecker, G & Wolschann, KP 1998, 'A quantum chemical study of levcromakalim' Monatshefte für Chemie: an international journal of chemistry, vol 129, pp. 633-642.

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Baur, R, Lüscher, BP, Richter, L & Sigel, E 2010, 'A residue close to alpha(1) loop F disrupts modulation of GABA(A) receptors by benzodiazepines while their binding is maintained' Journal of Neurochemistry, vol 115, no. 6, pp. 1478-1485. DOI: 10.1111/j.1471-4159.2010.07052.x

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Schmid, D, Staudacher, DL, Löw, H-G, Spieckermann, PG, Ecker, G & Chiba, P 2003, 'A Subset of Highly Effective Propafenone-Type Multidrug Resistance Modulators Lacks Effects on Cardiac Action Potential and Mechanical Twitch Parameters of Rat Papillary Muscles' Journal of Pharmacology and Experimental Therapeutics, vol 307, no. 2, pp. 589-596.

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Ecker, G, Pleban, K, Kopp, S, Csaszar, E, Poelarends, GJ, Putman, M, Kaiser, D, Konings, WN & Chiba, P 2004, 'A three-dimensional model for the substrate binding domain of the multidrug ATP binding cassette transporter LmrA' Molecular Pharmacology, vol 66, no. 5, pp. 1169-1179. DOI: 10.1124/mol.104.001420

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Ecker, G & Chiba, P 2009, ABC-transporters – from target to antitarget. in E Gerhard & C Peter (eds), Transporters as Drug Carriers. Unknown publisher.

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Leist, M, Ghallab, A, Graepel, R, Marchan, R, Hassan, R, Bennekou, SH, Limonciel, A, Vinken, M, Schildknecht, S, Waldmann, T, Danen, E, van Ravenzwaay, B, Kamp, H, Gardner, I, Godoy, P, Bois, FY, Braeuning, A, Reif, R, Oesch, F, Drasdo, D, Höhme, S, Schwarz, M, Hartung, T, Braunbeck, T, Beltman, J, Vrieling, H, Sanz, F, Forsby, A, Gadaleta, D, Fisher, C, Kelm, J, Fluri, D, Ecker, G, Zdrazil, B, Terron, A, Jennings, P, van der Burg, B, Dooley, S, Meijer, AH, Willighagen, E, Martens, M, Evelo, C, Mombelli, E, Taboureau, O, Mantovani, A, Hardy, B, Koch, B, Escher, S, van Thriel, C, Cadenas, C, Kroese, D, van de Water, B & Hengstler, JG 2017, 'Adverse outcome pathways: opportunities, limitations and open questions' Archives of Toxicology. DOI: 10.1007/s00204-017-2045-3
Elektronische Veröffentlichung vor Drucklegung

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Hofmaier, T, Luf, A, Seddik, A, Stockner, T, Holy, M, Freissmuth, M, Ecker, GF, Schmid, R, Sitte, HH & Kudlacek, O 2014, 'Aminorex, a metabolite of the cocaine adulterant levamisole, exerts amphetamine like actions at monoamine transporters' Neurochemistry International, vol 73, pp. 32-41. DOI: 10.1016/j.neuint.2013.11.010

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Buchmayer, F, Schicker, K, Steinkellner, T, Geier, P, Stübiger, G, Hamilton, PJ, Jurik, A, Stockner, T, Yang, J-W, Montgomery, T, Holy, M, Hofmaier, T, Kudlacek, O, Matthies, HJG, Ecker, GF, Bochkov, V, Galli, A, Boehm, S & Sitte, HH 2013, 'Amphetamine actions at the serotonin transporter rely on the availability of phosphatidylinositol-4,5-bisphosphate' Proceedings of the National Academy of Sciences of the United States of America (PNAS), vol 110, no. 28, pp. 11642-11647. DOI: 10.1073/pnas.1220552110

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Pinto, M, Trauner, M & Ecker, G 2012, 'An In Silico Classification Model for Putative ABCC2 Substrates.' Molecular Informatics, vol 31, no. 8, pp. 547-553. DOI: 10.1002/minf.201200049

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Bauer, R, Lauer, R, Linz, B, Pittner, F, Peschek, G, Ecker, G, Friedl, P & Noe, C 2002, 'An in vitro model for blood brain barrier permeation' Scientia Pharmaceutica, vol 70, no. 4, pp. 317-324.

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Ecker, G, Richter, L, Clayton, T, Chen, JL, Cromer, BA, Morton, CJ, Ng, H, Cook, JM, Helmstetter, FJ, Sieghart, W, Ernst, M, Furtmüller, R, Parker, MW & Kaczorowski, CC 2007, 'An updated unified pharmacophore model of the benzodiazepine binding site on gamma-aminobutyric acid receptors: correlation with comparative models' Current Medicinal Chemistry, pp. 2755-2775.

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Zdrazil, B, Pinto, M, Poongavanam, V, Williams, AJ, Balderud, LZ, Engkvist, O, Chichester, C, Hersey, A, Overington, JP & Ecker, G 2012, 'Annotating Human P-Glycoprotein Bioassay Data' Molecular Informatics, vol 31, no. 8, pp. 599-609. DOI: 10.1002/minf.201200059

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Schwanke, A, Murruzzu, C, Zdrazil, B, Zuhse, R, Natek, M, Höltje, M, Korting, HC, Reißig, H-U, Höltje, H-D & Schäfer-Korting, M 2010, 'Antitumor effects of guanosine-analog phosphonates identified by molecular modelling' International Journal of Pharmaceutics, vol 285, pp. 10924-10938.

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Carrió, P, Pinto, M, Ecker, G, Sanz, F & Pastor, M 2014, 'Applicability Domain ANalysis (ADAN): a robust method for assessing the reliability of drug property predictions' Journal of Chemical Information and Modeling, vol 54, no. 5, pp. 1500-11. DOI: 10.1021/ci500172z

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Ecker, G, Fleischhacker, W, Schaper, K-J & Chiba, P 1999, 'Artificial neural networks as versatile tools for prediction of MDR-modulatory activity' Advances in Experimental Medicine and Biology, vol 457, pp. 95-105.

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Kaiser, D, Hoffer, C, Chiba, P, Schaper, K-J & Ecker, G 2000, 'Artificial neural networks in drug design II: Influence of learning rate and momentum factor on the predictive ability' Scientia Pharmaceutica, vol 68, no. 1, pp. 57-64.

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Montanari, F & Ecker, G 2014, 'BCRP Inhibition: from Data Collection to Ligand-Based Modeling' Molecular Informatics, vol 33, no. 5, pp. 322-331. DOI: 10.1002/minf.201400012

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Dossetter, AG, Ecker, G, Laverty, H & Overington, J 2014, ''Big data' in pharmaceutical science: challenges and opportunities' Future Medicinal Chemistry, vol 6, no. 8, pp. 857-64. DOI: 10.4155/fmc.14.45

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Sandtner, W, Stockner, T, Hasenhuetl, PS, Partilla, JS, Seddik, A, Zhang, Y-W, Cao, J, Holy, M, Steinkellner, T, Rudnick, G, Baumann, MH, Ecker, GF, Newman, AH & Sitte, HH 2016, 'Binding Mode Selection Determines the Action of Ecstasy Homologs at Monoamine Transporters' Molecular Pharmacology, vol 89, no. 1, pp. 165-175. DOI: 10.1124/mol.115.101394

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Zdrazil, B & Ecker, G 2009, Cancer Drug Resistance – Targets and therapies. in Burgers Medicinal Chemistry - Drug Discovery and Development. Unknown publisher.

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Tasanor, O, Ernst, M, Thriemer, K, Ecker, G, Nödl, H & Chiba, P 2007, 'Characterization of a novel class of antimalarials and its applicability to plasmodial target identification' Wiener Medizinische Wochenschrift, vol 119, no. SUPPL. 3, pp. 83-87.

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Tasanor, O, Ernst, M, Thriemer, K, Ecker, GF, Noedl, H & Chiba, P 2009, 'Characterization of a novel class of antimalarials and its applicability to plasmodial target identification. (vol 119, pg 83, 2007)' Wiener Klinische Wochenschrift: The Central European Journal of Medicine, vol 121, pp. III-III.

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Thai, K-M & Ecker, GF 2008, 'Classification models for hERG inhibitors by counter-propagation neural networks' Chemical Biology and Drug Design, vol 72, no. 4, pp. 279-289. DOI: 10.1111/j.1747-0285.2008.00705.x

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Thai, KM & Ecker, G 2008, 'Classification models for hERG inhibitors by Counter-Propagation Neural Networks' Chemical Biology and Drug Design, no. 72, pp. 279-289.

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Jurik, A, Reicherstorfer, R, Zdrazil, B & Ecker, GF 2013, 'Classification of High-Activity Tiagabine Analogs by Binary QSAR Modeling' Molecular Informatics, vol 32, no. 5-6, pp. 415-419. DOI: 10.1002/minf.201300020

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Sugano, K, Kansy, M, Artursson, P, Avdeef, A, Bendels, S, Di, L, Ecker, GF, Faller, B, Fischer, H, Gerebtzoff, G, Lennernaes, H & Senner, F 2010, 'Coexistence of passive and carrier-mediated processes in drug transport' Nature Reviews. Drug Discovery, vol 9, no. 8, pp. 597-614. DOI: 10.1038/nrd3187

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Seddik, A, Geerke, DP, Stockner, T, Holy, M, Kudlacek, O, Cozzi, NV, Ruoho, AE, Sitte, HH & Ecker, GF 2016, 'Combined Simulation and Mutation Studies to Elucidate Selectivity of Unsubstituted Amphetamine-like Cathinones at the Dopamine Transporter' Molecular Informatics. DOI: 10.1002/minf.201600094

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Demel, M, Janecek, A, Gansterer, W & Ecker, G 2009, 'Comparison of Contemporary Feature Selection Algorithms: Application to the Classification of ABC-Transporter Substrates' QSAR & Combinatorial Science, vol 28, no. 10, pp. 1087-1091. DOI: 10.1002/qsar.200860191

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Pinto, M, Digles, D & Ecker, GF 2014, 'Computational models for predicting the interaction with ABC transporters' Drug Discovery Today: Technologies, vol 12, pp. e69-77. DOI: 10.1016/j.ddtec.2014.03.007

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Ecker, GF, Stockner, T & Chiba, P 2008, 'Computational models for prediction of interactions with ABC-transporters' Drug Discovery Today, vol 13, no. 7-8, pp. 311-317.

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Aher, Y, Stampfel, G, Demel, M, Stockner, T, Gansterer, W & Ecker, G 2009, 'Condor@Univie – a Distributed System Web Portal for Rigid & Flexible Ligand-Protein Docking' Scientia Pharmaceutica. DOI: 10.3797/scipharm.oephg.21.PO-01

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Stockner, T, de Vries, SJ, Bonvin, AMJJ, Ecker, GF & Chiba, P 2009, 'Data-driven homology modelling of P-glycoprotein in the ATP-bound state indicates flexibility of the transmembrane domains' The FEBS Journal, vol 276, no. 4, pp. 964-972. DOI: 10.1111/j.1742-4658.2008.06832.x

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Ecker, G & Chiba, P 2001, Design and development of propafenone-type inhibitors of drug efflux pumps. in Unknown host publication title. Unknown publisher, pp. 121-137.

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Lauer, R, Bauer, R, Linz, B, Pittner, F, Peschek, G, Ecker, G, Friedl, P & Noe, C 2004, 'Development of an in vitro blood-brain barrier model based on immortalized porcine brain microvascular endothelial cells' Il Farmaco, vol 59, no. 2, pp. 133-137. DOI: 10.1016/j.farmac.2003.11.007

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Damgaard, M, Haugaard, AS, Kickinger, S, Al-Khawaja, A, Lie, MEK, Ecker, G, Clausen, RP & Frølund, B 2017, Development of Non-GAT1-Selective Inhibitors: Challenges and Achievements. in A Ortega & A Schousboe (eds), Glial Amino Acid Transporters. Advances in Neurobiology, Springer.

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Neudorfer, C, Shanab, K, Jurik, A, Schreiber, V, Neudorfer, C, Vraka, C, Schirmer, E, Holzer, W, Ecker, G, Mitterhauser, M, Wadsak, W & Spreitzer, H 2014, 'Development of potential selective and reversible pyrazoline based MAO-B inhibitors as MAO-B PET tracer precursors and reference substances for the early detection of Alzheimer's disease' Bioorganic & Medicinal Chemistry Letters, vol 24, no. 18, pp. 4490-4495. DOI: 10.1016/j.bmcl.2014.07.085

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Stockner, T, Jurik, A, Weissensteiner, R, Freissmuth, M, Ecker, G & Sitte, HH 2014, Development of Refined Homology Models: Adding the Missing Information to the Medically Relevant Neurotransmitter Transporters. in R Krämer & C Ziegler (eds), Membrane Transport Mechanism: 3D Structure and Beyond. vol. 17, Springer-Verlag Berlin-Heidelberg, pp. 99-120.

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Richter, L, de Graaf, C, Sieghart, W, Varagic, Z, Moerzinger, M, de Esch, IJP, Ecker, GF & Ernst, M 2012, 'Diazepam-bound GABA(A) receptor models identify new benzodiazepine binding-site ligands' Nature Chemical Biology, vol 8, no. 5, pp. 455-464. DOI: 10.1038/NCHEMBIO.917

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Stuppner, H, Ecker, G & Glasl-Tazreiter, S 2006, 'Diplomstudium versus Bakkalaureat' Österreichische Apothekerzeitung, vol 60, no. 8, pp. 397-399.

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Chichester, C, Digles, D, Siebes, R, Loizou, A, Groth, P & Harland, L 2015, 'Drug discovery FAQs: Workflows for answering multidomain drug discovery questions' Drug Discovery Today, vol 20, no. 4, pp. 399-405. DOI: 10.1016/j.drudis.2014.11.006

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Schöffmann, A, Wimmer, L, Goldmann, D, Khom, S, Hintersteiner, J, Baburin, I, Schwarz, T, Hintersteininger, M, Pakfeifer, P, Oufir, M, Hamburger, M, Erker, T, Ecker, GF, Mihovilovic, MD & Hering, S 2014, 'Efficient modulation of γ-aminobutyric acid type A receptors by piperine derivatives' Journal of Medicinal Chemistry, vol 57, no. 13, pp. 5602-5619. DOI: 10.1021/jm5002277

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Goldmann, D, Zdrazil, B, Digles, D & Ecker, GF 2017, 'Empowering pharmacoinformatics by linked life science data' Journal of Computer-Aided Molecular Design, vol 31, no. 3, pp. 319-328. DOI: 10.1007/s10822-016-9990-4

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