Mag. Dr. Barbara Zdrazil
Winter term 2017
321024 PR Arzneistoffanalytik - B12 - (5 Kurse)
Summer term 2017
Winter term 2016
321024 PR Arzneistoffanalytik - B12 - (5 Kurse)
Montanari, F & Zdrazil, B 2017, 'How Open Data Shapes In Silico Transporter Modeling' Molecules: a journal of synthetic organic and natural product chemistry, Bd 22, Nr. 3. DOI: 10.3390/molecules22030422
Goldmann, D, Zdrazil, B, Digles, D & Ecker, GF 2017, 'Empowering pharmacoinformatics by linked life science data' Journal of Computer-Aided Molecular Design, Bd 31, Nr. 3, S. 319-328. DOI: 10.1007/s10822-016-9990-4
Montanari, F, Zdrazil, B, Digles, D & Ecker, GF 2016, 'Selectivity profiling of BCRP versus P-gp inhibition: from automated collection of polypharmacology data to multi-label learning' Journal of Cheminformatics, Bd 8, S. 7. DOI: 10.1186/s13321-016-0121-y
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, Bd 7, Nr. 6, S. 1237-1244. DOI: 10.1039/c6md00065g
Zdrazil, B, Hellsberg, E, Viereck, M & Ecker, GF 2016, 'From linked open data to molecular interaction: Studying selectivity trends for ligands of the human serotonin and dopamine transporter' MedChemComm, Bd 7, Nr. 9, S. 1819-1831. DOI: 10.1039/c6md00207b
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, Bd 58, Nr. 5. DOI: 10.1021/jm5015428
Ratnam, J, Zdrazil, B, Digles, D, Cuadrado-Rodriguez, E, Neefs, J-M, Tipney, H, Siebes, R, Waagmeester, A, Bradley, G, Chau, CH, Richter, L, Brea, J, Evelo, CT, Jacoby, E, Senger, S, Loza, MI, Ecker, GF & Chichester, C 2014, 'The Application of the Open Pharmacological Concepts Triple Store (Open PHACTS) to Support Drug Discovery Research' PLoS ONE, Bd 9, Nr. 12, S. e115460. DOI: 10.1371/journal.pone.0115460
Zdrazil, B, Chichester, C, Zander Balderud, L, Engkvist, O, Gaulton, A & Overington, JP 2014, 'Transporter assays and assay ontologies: useful tools for drug discovery' Drug Discovery Today: Technologies, Bd 12, S. e47-54. DOI: 10.1016/j.ddtec.2014.03.005
Goldmann, D, Montanari, F, Richter, L, Zdrazil, B & Ecker, GF 2014, 'Exploiting open data: a new era in pharmacoinformatics' Future Medicinal Chemistry, Bd 6, Nr. 5, S. 503-14. DOI: 10.4155/fmc.14.13
Jurik, A, Zdrazil, B, Holy, M, Sitte, HH & Ecker, G 2014, 'Analyse der molekularen Basis der GABA Transporter Inhibition' 47.Wissenschaftliche Fortbildungswoche der Österreichischen Apothekerkammer, Schladming, Österreich, 23/02/14,.
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, Bd 18, Nr. 17-18, S. 843-52. DOI: 10.1016/j.drudis.2013.05.008
Jurik, A, Reicherstorfer, R, Zdrazil, B & Ecker, GF 2013, 'Classification of High-Activity Tiagabine Analogs by Binary QSAR Modeling' Molecular Informatics, Bd 32, Nr. 5-6, S. 415-419. DOI: 10.1002/minf.201300020
Seddik, A, Holy, M, Weissensteiner, R, Zdrazil, B, Sitte, HH & Ecker, GF 2013, 'Probing the Selectivity of Monoamine Transporter Substrates by Means of Molecular Modeling' Molecular Informatics, Bd 32, Nr. 5-6, S. 409-413. DOI: 10.1002/minf.201300013
Zdrazil, B & Ecker, GF 2013, 'About the impact of open access bioassay data on cheminformatic approaches' American Chemical Society. Abstracts of Papers (at the National Meeting), Bd 245.
Jurik, A, Zdrazil, B, Sitte, HH & Ecker, GF 2013, 'Virtual screening for new gamma-aminobutyric acid transporter 1 inhibitors based on insights acquired by comparative modeling' American Chemical Society. Abstracts of Papers (at the National Meeting), Bd 245.
Seddik, A, Holy, M, Sitte, HH, Ecker, G & Zdrazil, B 2013, 'Probing the Substrate Selectivity of Monoamine Transporters'.
Seddik, A, Zdrazil, B, Stockner, T, Bulling, S, Tulzer, A, Steinkellner, T, Sandtner, W, Freissmuth, M, Sitte, HH & Ecker, G 2013, 'Prediction of high-affinity SERT substrates by 2D-QSAR'.
Jurik, A, Zdrazil, B, Sitte, HH & Ecker, G 2013, 'Virtual Screening for New GABA Transporter 1 Inhibitors Based on Insights Acquired by Comparative Modeling', New Orleans, USA / Vereinigte Staaten, 7/04/13 - 11/04/13,.
Jurik, A, Zdrazil, B, Sitte, HH & Ecker, G 2013, 'New scaffolds for an old target – pharmacophore screening for novel GAT-1 inhibitors' 6th Annual SFB35 Symposium "Membrane Transporters in Health and Disease"", Österreich, 23/09/13 - 25/09/13,.
Seddik, A, Zdrazil, B, Weissensteiner, R, Sitte, HH & Ecker, GF 2012, 'Prioritization of docking poses in human serotonin and dopamine transporters by the use of common scaffold clustering' American Chemical Society. Abstracts of Papers (at the National Meeting), Bd 244.
Zdrazil, B, Blomberg, N & Ecker, G 2012, 'Taking Open Innovation to the Molecular Level - Strengths and Limitations' Molecular Informatics, Bd 31, Nr. 8, S. 528-535. DOI: 10.1002/minf.201200014
Jurik, A, Klepsch, F & Zdrazil, B 2012, Molecular Modeling and Simulation of Membrane Transport Proteins. in D Ekinci (Hrsg.), Medicinal Chemistry and Drug Design. InTech, S. 373-397.
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, Bd 31, Nr. 8, S. 599-609. DOI: 10.1002/minf.201200059
Jurik, A, Zdrazil, B, Sitte, HH & Ecker, G 2012, 'Elucidating Binding Events of Tiagabine Analogs by Molecular Dynamics – Assisted Docking Studies.' 5th Annual SFB35 Symposium "Transmembrane Transporters in Health and Disease", Wien, Österreich, 24/09/12,.
Jurik, A, Zdrazil, B, Sitte, HH, Vogensen, SB & Ecker, G 2012, 'Combining Ensemble Docking and Consensus Scoring to Elucidate the Binding Mode of Tiagabine Analogs in hGAT-1.' 3rd Strasbourg Summer School on Chemoinformatics, Frankreich, 25/06/12 - 29/06/12,.
Jurik, A, Reicherstorfer, R, Zdrazil, B & Ecker, G 2012, 'Combining Binary QSAR and Docking for Structure-Activity Relationships of Tiagabine Analogs.' 19th EuroQSAR, Wien, Österreich, 26/08/12 - 30/08/12,.
Jurik, A, Zdrazil, B, Sitte, HH, Vogensen, SB & Ecker, G 2012, 'Studying Structure-Activity Relationships in a Homology Model of the Gamma-Aminobutyric Acid Transporter 1.' 22nd International Symposium on Medicinal Chemistry (EFMC-ISMC 2012), Berlin, Deutschland, 2/09/12 - 6/09/12,.
Seddik, A, Zdrazil, B, Bulling, S & Tulzer, A 2012, 'Exhaustive docking suggests equivalent orientation of Mephedrone in the human Serotonin and Dopamine transporter.' 5th Annual SFB35 Symposium "Transmembrane Transporters in Health and Disease", Wien, Österreich, 24/09/12,.
Seddik, A, Weissensteiner, R, Zdrazil, B, Sitte, HH & Ecker, G 2012, 'Interaction Profiling of Mephedrone at the Human Serotonin and Dopamine Transporters.' 22nd International Symposium on Medicinal Chemistry (EFMC-ISMC 2012), Berlin, Deutschland, 2/09/12 - 6/09/12,.
Zdrazil, B, Jurik, A, Vogensen, SB, Sitte, HH & Ecker, G 2012, 'Molecular modeling studies of the human GABA transporter 1: Insights into binding events of Tiagabine analogs' Beitrag in 244th ACS National Meeting & Exposition, Philadelphia, PA, USA / Vereinigte Staaten, 19/08/12 - 23/08/12,.
Seddik, A, Zdrazil, B, Weissensteiner, R, Sitte, HH & Ecker, G 2012, 'Prioritization of docking poses in human serotonin and dopamine transporters by the use of common scaffold clustering' Beitrag in 244th ACS National Meeting & Exposition, Philadelphia, PA, USA / Vereinigte Staaten, 19/08/12 - 23/08/12,.
Zdrazil, B, Schwanke, A, Schmitz, B, Schäfer-Korting, M & Höltje, H-D 2011, 'Molecular modelling studies of new potential human DNA polymerase alpha alpha inhibitors' Journal of Enzyme Inhibition and Medicinal Chemistry, Bd 26, Nr. 2, S. 270-279. DOI: 10.3109/14756366.2010.503609
Weissensteiner, R, Zdrazil, B, Sarker, S, Sitte, HH, Freissmuth, M, Sucic, S & Ecker, G 2011, 'Insights into Molecular Interactions between the Serotonin Transporter and Tricyclic Antidepressants.' 8th European Workshop in Drug Design, Siena, Italien, 22/05/11 - 28/05/11,.
Jurik, A, Reicherstorfer, R, Zdrazil, B, Urban, E & Ecker, G 2011, 'Evaluation of Drug Binding Modes in a Series of Homology Models of the Gamma-Aminobutyric Acid Transporter.' 8th European Workshop in Drug Design, Siena, Italien, 22/05/11 - 28/05/11,.
Jurik, A, Zdrazil, B, Reicherstorfer, R, Sitte, HH & Ecker, G 2011, 'Molecular Dynamics - Assisted Comparative Modeling and Docking Studies of the Gamma-Aminobutyric Acid Transporter' 4th Annual SFB Symposium "Transmembrane Transporters in Health and Disease", Österreich, 8/09/11,.
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 alpha inhibitors for skin tumors. Part 2. Modeling, synthesis and influence on normal and transformed keratinocytes of new thymidine and purine derivatives' Journal of Enzyme Inhibition and Medicinal Chemistry, Bd 25, Nr. 2, S. 250-65. DOI: 10.3109/14756360903059579
Sucic, S, Dallinger, S, Zdrazil, B, Weissensteiner, R, Jorgensen, TN, Holy, M, Kudlacek, O, Seidel, S, Cha, JH, Gether, U, Newman, AH, Ecker, G, Freissmuth, M & Sitte, HH 2010, 'The N terminus of monoamine transporters is a lever required for the action of amphetamines' Journal of Biological Chemistry, Bd 285, Nr. 14, S. 10924-10938. DOI: 10.1074/jbc.M109.083154
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, Bd 25, S. 250-265.
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, Bd 285, S. 10924-10938.
Zdrazil, B & Ecker, G 2009, Cancer Drug Resistance – Targets and therapies. in Burgers Medicinal Chemistry - Drug Discovery and Development. Unknown publisher.
Ecker, GF, Zdrazil, B & Prakasvudhisarn, C 2007, 'MEDI 175-NCI60 screening data: A versatile tool for in silico models predicting substrate properties for ABC-transporter' American Chemical Society. Abstracts of Papers (at the National Meeting), Bd 234.
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, Bd 26, Nr. 5, S. 669-678. DOI: 10.1002/qsar.200610149
Zdrazil, B & Ecker, G 2007, 'NCI60 screening data - a versatile tool for in silico models predicting substrate properties for ABC-transporter' 234th ACS National Meeting, USA / Vereinigte Staaten, 19/08/07 - 23/08/07,.
Ecker, GF, Schindler, SU, Zdrazil, B & Chiba, P 2006, 'Predictive models for P-glycoprotein substrates based on VSA-descriptors' American Chemical Society. Abstracts of Papers (at the National Meeting), Bd 231.
Zdrazil, B, Kaiser, D, Kopp, S, Chiba, P & Ecker, GF 2005, 'Generation of predictive QSAR-models for inhibitors of P-glycoprotein using similarity based descriptors.' American Chemical Society. Abstracts of Papers (at the National Meeting), Bd 229, S. U201-U201.
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, Bd 19, Nr. 9-10, S. 687-692. DOI: 10.1007/s10822-005-9000-8
Ecker, G & Zdrazil, B 2005, 'Similarity-based descriptors (SIBAR) as tool for exchange of chemical information' Unknown Journal.
Zdrazil, B, Kaiser, D, Chiba, P & Ecker, G 2004, 'Similarity based descriptors as tool for generation of predictive QSAR models for P-glycoprotein inhibitors'.

Department für Pharmazeutische Chemie

Althanstraße 14 (UZA II)
1090 Wien

barbara.zdrazil@univie.ac.at