Publications, Patents, Books and Book Chapters


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196 Results
Klepsch, F, Jabeen, I, Chiba, P & Ecker, G 2010, 'Pharmacoinformatic approaches to design natural product type ligands of ABC-transporters.' Current Pharmaceutical Design, vol 16, no. 15, pp. 1742-1752.

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Khom, S, Strommer, B, Ramharter, J, Schwarz, T, Schwarzer, C, Erker, T, Ecker, G, Mulzer, J & Hering, S 2010, 'Valerenic acid derivatives as novel subunit-selective GABA(A) receptor ligands - in vitro and in vivo characterization' British Journal of Pharmacology, vol 161, no. 1, pp. 65-78. DOI: 10.1111/j.1476-5381.2010.00865.x

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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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Höltje, M, Richartz, A, Zdrazil, B, Schwanke, A, Dugovic, B, Murruzzu, C, Reißig, H-U, Korting, HC, Kleuser, B, Höltje, H-D & Schäfer-Korting, M 2010, 'Human Polymerase α Inhibitors for Skin Tumors. Part 2. Modelling, Synthesis and Influence on Normal and Transformed Keratinocytes of New Thymidine and Purine Derivatives' Journal of Enzyme Inhibition and Medicinal Chemistry, vol 25, pp. 250-265.

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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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Fürst, R, Zupko, I, Berenyi, A, Ecker, G & Rinner, U 2009, 'Synthesis and antitumor-evaluation of cyclopropyl-containing combretastatin analogs' Bioorganic & Medicinal Chemistry Letters, vol 19, no. 24, pp. 6948-6951. DOI: 10.1016/j.bmcl.2009.10.064

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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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Schwaha, R & Ecker, G 2009, 'Similarity Based Descriptors - Useful for Classification of Substrates of the Human Multidrug Transporter P-Glycoprotein?' QSAR & Combinatorial Science, vol 28, no. 8, pp. 834-839. DOI: 10.1002/qsar.200960051

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Thai, KM & Ecker, G 2009, 'Similarity-based SIBAR descriptors for classification of chemically diverse hERG blockers.' Molecular Diversity, vol 13, no. 3, pp. 321-336. DOI: 10.1007/s11030-009-9117-0

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Hoedl, C, Raunegger, K, Strommer, R, Ecker, GF, Kunert, O, Sturm, S, Seger, C, Haslinger, E, Steiner, R, Strauss, WSL & Schramm, H-W 2009, 'Syntheses and Antigestagenic Activity of Mifepristone Derivatives' Journal of Medicinal Chemistry, vol 52, no. 5, pp. 1268-1274. DOI: 10.1021/jm800985z

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

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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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Ecker, G, Chiba, P, Neuhaus, W & Noe, C 2009, Transport at the Blood-Brain Barrier. in G Ecker & P Chiba (eds), Transporters as Drug Carriers. Structure, Function, Substrates. Methods and Principles in Medicinal Chemistry, Wiley, pp. 263-298. DOI: 10.1002/9783527627424.ch10

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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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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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Ecker, G, Thai, K-M, Kim, HP, Park, H & Tran, T-D 2009, 'Inhibitory activity of prostaglandine E2 production by the synthetic 2'-hydroxychalcone analogues: Synthesis and SAR study' Bioorganic & Medicinal Chemistry Letters, vol 19, pp. 1650-1653.

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Hödl, C, Raunegger, K, Strommer, R, Ecker, G, Kunert, O, Sturm, S, Seger, C, Haslinger, E, Steiner, R, Strauss, WSL & Schramm, H-W 2009, 'Synthesis and antigestagenic activity of mifepristone derivatives.' Journal of Medicinal Chemistry, vol 52, pp. 1268-1274.

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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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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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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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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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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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König, G, Chiba, P & Ecker, G 2008, 'Hydrophobic moments as physicochemical descriptors in structure-activity relationship studies of P-glycoprotein inhibitors' Monatshefte für Chemie: an international journal of chemistry, vol 139, no. 4, pp. 401-405. DOI: 10.1007/s00706-007-0819-7

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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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Janecek, A, Gansterer, W, Demel, M & Ecker, G 2008, 'On the Relationship Between Feature Selection and Classification Accuracy' Journal of Machine Learning Research, vol 4, pp. 90-105.

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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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Ecker, G 2008, Inhibitors of P-glycoprotein-Hit identification and lead optimisation. in NA Colabufo (ed.), Multidrug resistance: Multidrug resistance. Research Signpost.

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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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Janecek, A, Gansterer, W, Ecker, G, Demel, M & Thai, KM 2008, 'Predictive QSAR Models for Polyspecific Drug Targets: The Importance of Feature Selection' Current Computer - Aided Drug Design, vol 4, no. 2, pp. 91-110. DOI: 10.2174/157340908784533256

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Schwaha, R & Ecker, G 2008, 'The Similarity Principle - New trends and applications in Ligand-based drug discovery and ADMET profiling' Scientia Pharmaceutica, vol 76, no. 1, pp. 5-18.

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Zdrazil, B, Kaiser, D, Kopp, S, Chiba, P & Ecker, GF 2007, 'Similarity-based descriptors (SIBAR) as tool for QSAR studies on P-glycoprotein inhibitors: Influence of the reference set' QSAR & Combinatorial Science, vol 26, no. 5, pp. 669-678. DOI: 10.1002/qsar.200610149

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Kaiser, D, Terfloth, L, Kopp, S, Schulz, J, De Laet, R, Chiba, P, Ecker, G & Gasteiger, J 2007, 'Self-organizing maps for identification of new inhibitors of P-glycoprotein' Journal of Medicinal Chemistry, vol 50, no. 7, pp. 1698-1702. DOI: 10.1021/jm060604z

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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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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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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, 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 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, Ekins, S & Chiba, P 2007, 'Future directions for drug transporter modelling' Xenobiotica - the fate of foreign compounds in biological systems, vol 37, pp. 1152-1170.

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Tasanor, O, Ernst, M, Thriemer, K, Ecker, G, Nödl, H & Chiba, P 2007, 'Identification of a novel class of antimalarials and its applicability to plasmodial target identification' Wiener Klinische Wochenschrift: The Central European Journal of Medicine, no. 119, pp. 83-87.

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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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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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Noe, C & Ecker, G 2006, In silico prediction models for blood-brain barrier permeation. in R Dermietzel, DC Spray & M Nedergaard (eds), Blood-Brain Barriers: From Ontogeny to Artificial Interfaces: Ontogeny of the Blood-Brain Barrier.. vol. Part I, Wiley, pp. 403-426.

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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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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 2005, 'In silico screening of promiscuous targets and antitargets' Chimica oggi - Chemistry today, vol 23, no. 3, pp. 39-42.

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Pleban, K & Ecker, G 2005, 'Inhibitors of P-glycoprotein - Lead identification and optimisation' Mini - Reviews in Medicinal Chemistry, vol 5, no. 2, pp. 153-163.

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Kaiser, D, Zdrazil, B & Ecker, G 2005, 'Similarity-based descriptors (SIBAR) - A tool for safe exchange of chemical information?' Journal of Computer-Aided Molecular Design, vol 19, no. 9-10, pp. 687-692. DOI: 10.1007/s10822-005-9000-8

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Pleban, K, Kopp, S, Csaszar, E, Peer, M, Hrebicek, T, Rizzi, A, Ecker, G & Chiba, P 2005, 'P-glycoprotein substrate binding domains are located at the transmembrane domain/transmembrane domain interfaces: A combined photoaffinity labeling-protein homology modeling approach' Molecular Pharmacology, vol 67, no. 2, pp. 365-374. DOI: 10.1124/mol.104.006973

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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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