Publications, Patents, Books and Book Chapters


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184 Results
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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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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Azzaoui, K, Jacoby, E, Senger, S, Rodríguez, EC, Loza, M, Zdrazil, B, Pinto, M, Williams, AJ, de la Torre, V, Mestres, J, Pastor, M, Taboureau, O, Rarey, M, Chichester, C, Pettifer, S, Blomberg, N, Harland, L, Williams-Jones, B & Ecker, GF 2013, 'Scientific competency questions as the basis for semantically enriched open pharmacological space development' Drug Discovery Today, vol 18, no. 17-18, pp. 843-52. DOI: 10.1016/j.drudis.2013.05.008

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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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Baur, R, Kielar, M, Richter, L, Ernst, M, Ecker, GF & Sigel, E 2013, 'Molecular analysis of the site for 2-arachidonylglycerol (2-AG) on the β₂ subunit of GABA(A) receptors' Journal of Neurochemistry, vol 126, no. 1, pp. 29-36. DOI: 10.1111/jnc.12270

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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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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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Blomberg, N, Ecker, G, Kidd, R, Mons, B & Williams-Jones, B 2011, 'Knowledge Driven Drug Discovery goes Semantic' MedChemComm, vol 2, no. 8, pp. 72-76.

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Brunhofer-Bolzer, G, Studenik, C, Ecker, G & Erker, T 2011, 'Synthesis, spasmolytic activity and structure-activity relationship study of a series of polypharmacological thiobenzanilides' European Journal of Pharmaceutical Sciences, vol 42, no. 1-2, pp. 37-44. DOI: 10.1016/j.ejps.2010.10.005

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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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Buchstaller, H-P, Siebert, CD, Lyssy, RH, Ecker, G, Krug, M, Berger, M, Gottschlich, R & Noe, C 2000, 'Thieno (2,3-b) pyridinones as Antagonists on the Glycine Site of the N-methyl-D-asparatate Receptor-Binding Studies, Molecular Modeling and Structure-Activity-Relationships' Scientia Pharmaceutica, no. 68, pp. 3-14.

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Cakil, YD, Khunweeraphong, N, Parveen, Z, Schmid, D, Artaker, M, Ecker, GF, Sitte, HH, Pusch, O, Stockner, T & Chiba, P 2014, 'Pore-Exposed Tyrosine Residues of P-Glycoprotein Are Important Hydrogen-Bonding Partners for Drugs' Molecular Pharmacology, vol 85, no. 3, pp. 420-428. DOI: 10.1124/mol.113.088526

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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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Chiba, P, Erker, T, Galanski, M & Ecker, G 2002, 'Synthesis and multidrug-resistance modulating activity of a series of thienothiazines' Archiv der Pharmazie, vol 335, no. 5, pp. 223-228.

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Chiba, P, Hitzler, M & Ecker, G 1997, 'Studies on propafenone-type modulators of multidrug resistance III: Variations on the nitrogen' QSAR & Combinatorial Science, vol 16, no. 5, pp. 361-366. DOI: 10.1002/qsar.19970160502

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Chiba, P, Mihalek, I, Ecker, G, Kopp, S & Lichtarge, O 2006, 'Role of transmembrane domain/transmembrane domain interfaces of P-glycoprotein (ABCB1) in solute transport. Convergent information from photoaffinity labeling, site directed mutagenesis and in Silico importante prediction' Current Medicinal Chemistry, vol 13, no. 7, pp. 793-805.

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Chiba, P & Ecker, G 2004, 'Inhibitors of ABC-type drug efflux pumps: An overview of the current patent situation' Expert Opinion on Therapeutic Patents: authoritative analysis of patenting trends, vol 14, no. 4, pp. 499-508.

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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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Damgaard, M, Al-Khawaja, A, Vogensen, SB, Jurik, A, Sijm, M, Lie, MEK, Bæk, MI, Rosenthal, E, Jensen, AA, Ecker, GF, Frølund, B, Wellendorph, P & Clausen, RP 2015, 'Identification of the First Highly Subtype-Selective Inhibitor of Human GABA Transporter GAT3' ACS Chemical Neuroscience, vol 6, no. 9, pp. 1591-9. DOI: 10.1021/acschemneuro.5b00150

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Demel, M, Schwaha, R, Krämer, O, Ettmayer, P, Haaksma, E & Ecker, G 2008, 'In silico prediction of substrate properties for ABC-multidrug transporters' Expert Opinion on Drug Metabolism & Toxicology, vol 4, no. 9, pp. 1167-1180. DOI: 10.1517/17425255.4.9.1167

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Demel, M, Krämer, O, Ettmayer, P, Haaksma, E & Ecker, G 2009, 'Predicting ligand interaction with ABC transporters in ADME' Chemistry & Biodiversity, vol 6, pp. 1960-1969.

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Demel, MA, Kraemer, O, Ettmayer, P, Haaksma, EEJ & Ecker, GE 2009, 'Predicting Ligand Interactions with ABC Transporters in ADME' Chemistry & Biodiversity, vol 6, no. 11, pp. 1960-1969.

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Demel, M, Krämer, O, Ettmayer, P, Haaksma, E & Ecker, G 2010, 'Ensemble Rule-based classification of substrates of the human ABC-transporter ABCB1 using simple physicochemical descriptors' Molecular Informatics, vol 29, no. 3, pp. 233-242. DOI: 10.1002/minf.200900079

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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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Di, L, Artursson, P, Avdeef, A, Ecker, G, Faller, B, Fischer, H, Houston, JB, Kansy, M, Kerns, EH, Krämer, SD, Lennernaes, H & Sugano, K 2012, 'Evidence-based approach to assess passive diffusion and carrier-mediated drug transport' Drug Discovery Today, vol 17, no. 15-16, pp. 905-912. DOI: 10.1016/j.drudis.2012.03.015

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Digles, D & Ecker, GF 2011, 'Self-Organizing Maps for In Silico Screening and Data Visualization' Molecular Informatics, vol 30, no. 10, pp. 838-846. DOI: 10.1002/minf.201100082

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Digles, D, Zdrazil, B, Neefs, JM, Van Vlijmen, H, Herhaus, C, Caracoti, A, Brea, J, Roibás, B, Loza, MI, Queralt-Rosinach, N, Furlong, LI, Gaulton, A, Bartek, L, Senger, S, Chichester, C, Engkvist, O, Evelo, CT, Franklin, NI, Marren, D, Ecker, GF & Jacoby, E 2016, 'Open PHACTS computational protocols for in silico target validation of cellular phenotypic screens: Knowing the knowns' MedChemComm, vol 7, no. 6, pp. 1237-1244. DOI: 10.1039/c6md00065g

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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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Duernberger, G, Bürckstümmer, T, Huber, K, Giambruno, R, Doerks, T, Karayel, E, Burkard, TR, Kaupe, I, Mueller, AC, Schönegger, A, Ecker, GF, Lohninger, H, Bork, P, Bennett, KL, Superti-Furga, G & Colinge, J 2013, 'Experimental characterization of the human non-sequence-specific nucleic acid interactome' Genome Biology, vol 14, no. 7, 81, pp. R81. DOI: 10.1186/gb-2013-14-7-r81

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Ecker, G & Chiba, P 2007, QSAR studies on drug transporters involved in toxicology. in S Ekins (ed.), Computational Toxicology. Wiley-Blackwell, New Jersey, pp. 295-314.

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Ecker, G, Chiba, P & Hitzler, M 1998, 'Studies on propafenone-type modulators of mutlidrug resistance VIII: Synthesis and pharmacological activity of indanone analogues' Scientia Pharmaceutica, vol 66, pp. 147-168.

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Ecker, G, Kopp, S, Smiesko, M & Chiba, P 2006, 'Interaction field based and hologram based QSAR analysis of propafenone-type modulators of multidrug resistance' Medicinal Chemistry, vol 1, pp. 431-444.

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Ecker, G & Chiba, P 1997, 'Recent developments in overcoming tumour cell multi-drug resistance' Expert Opinion on Therapeutic Patents: authoritative analysis of patenting trends, vol 7, pp. 589-599.

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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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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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Ecker, G 1997, 'Sodium channel modulators in preclinical and early clinical development' Ion Channel Modulators, vol 2, pp. 584-591.

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Ecker, G, Fleischhacker, W & Noe, C 1989, Verfahren zur Herstellung enantiomerenreiner carbonylsubstituierter Aryloxypropanolamine, Patent No. Österr.Patent vom 31.1.1989.

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Ecker, G, Kopp, S, Bates, SE, Cramer, J & Chiba, P 2007, 'Multispecificity of drug transporters: probing inhibitor selectivity for the human drug efflux transporters ABCB1 and ABCG2' ChemMedChem: chemistry enabling drug discovery, vol 2, pp. 1783-1788.

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Ecker, G, Chiba, P, Hitzler, M & Schmid, D 1999, 'Structure-activity relationship studies of propafenone analogs based on P-glycoprotein ATPase activity measurements' Biochemical Pharmacology, vol 58, pp. 1447-1456.

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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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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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Ecker, G, Csaszar, E, Plagens, B, Holzer, W, Ernst, W & Chiba, P 2002, 'Identification of ligand-binding regions of P-glycoprotein by activated-pharmacophore photoaffinity labeling and matrix-assisted laser desorption/ionization-time-of-flight mass spectrometry' Molecular Pharmacology, vol 61, no. 3, pp. 637-648.

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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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Ecker, G, Hitzler, M & Chiba, P 1998, 'Synthesis and pharmacological activity of the stereoisomers of GP-88, a propafenone-type modulator of multidrug resistance' Bioorganic & Medicinal Chemistry Letters, vol 8, pp. 829-832.

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Ecker, G, Tumova, I, Racanska, E, Svec, P, Otrusnik, R & Csöllei, J 1997, 'Pharmacological-toxicological evaluation of some newly synthesised analogues of propafenone' Ceska a Slovenska Farmacie, vol 46, pp. 133-136.

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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 2002, 'Troxacitabine (Shire Pharmaceuticals).' Current Opinion in Investigational Drugs, vol 3, no. 10, pp. 1533-1538.

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Ecker, G 2007, 'Predictive models for hERG channel blockers: ligand-based and structure-based approaches' Current Medicinal Chemistry, vol 14, no. 14, pp. 3003-3026.

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Ecker, G & Urban, E 1998, 'Studies on the absolute configuration and the enantiomeric purity of the antibiotic heptelidic acid' Scientia Pharmaceutica, vol 66, pp. 199-204.

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Ecker, G 2009, QSAR studies on ABC-transporter – how to deal with polyspecificity. in Transporters as Drug Carriers. Unknown publisher.

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