Publications, Patents, Books and Book Chapters


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189 Results
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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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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Murias, M, Handler, N, Erker, T, Pleban, K, Ecker, G, Saiko, P, Szekeres, T & Jäger, W 2004, 'Resveratrol analogues as selective cyclooxygenase-2 inhibitors: Synthesis and structure-activity relationship' Bioorganic & Medicinal Chemistry, vol 12, no. 21, pp. 5571-5578.

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Langer, T, Eder, M, Hoffmann, RD, Chiba, P & Ecker, G 2004, 'Lead identification for modulators of multidrug resistance based on in silico screening with a pharmacophoric feature model' Archiv der Pharmazie, vol 337, no. 6, pp. 317-327.

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Pleban, K, Hoffer, C, Kopp, S, Peer, M, Chiba, P & Ecker, G 2004, 'Intramolecular distribution of hydrophobicity influences pharmacological activity of propafenone-type MDR modulators' Archiv der Pharmazie, vol 337, no. 6, pp. 328-334.

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Pleban, K, Macchiarulo, A, Costantino, G, Pellicciari, R, Chiba, P & Ecker, G 2004, 'Homology model of the multidrug transporter LmrA from Lactococcus lactis' Bioorganic & Medicinal Chemistry Letters, vol 14, no. 23, pp. 5823-5826.

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Klein, C, Kaiser, D & Ecker, G 2004, 'Topological Distance Based 3D Descriptors for Use in QSAR and Diversity Analysis' Journal of Chemical Information and Computer Sciences, vol 44, no. 1, pp. 200-209. DOI: 10.1021/ci0256236

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Noe, C & Ecker, G 2004, 'In silico prediction models for blood-brain barrier permeation' Current Medicinal Chemistry, vol 11, no. 12, pp. 1617-1628.

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