Publications

    2017
  • Andranovits S.,Beyl S., Hohaus A., Zangerl-Plessl E., Timin E., Hering S; Key role of segment IS4 in Cav1.2 inactivation: link between activation and inactivation; Pflugers Arch 2017.08 read more >>
  • Damgaard M., Haugaard A.S., Kickinger S., Al-Khawaja A., Lie M.E., Ecker G.F., Clausen R.C., Frolund B; Development of Non-GAT1-Selective Inhibitors: Challenges and Achievements; Advances in Neurobiology 2017.08 vol 16:315-332. read more >>
  • Cooper PE; McClenaghan C., Chen X., Stary-Weinzinger A., Nichols CG; Conserved functional consequences of disease-associated mutations in the slide-helix of Kir6.1 and Kir6.2 subunits of the ATP-sensitive potassium channel. Journal of Biological Chemistry 2017.08 pii: jbc.M117.804971. read more >>
  • • Simeone X, Siebert DCB, Bampali K, Varagic Z, Treven M, Rehman S, Pyszkowski J, Holzinger R, Steudle F, Scholze P, Mihovilovic MD, Schnürch M, Ernst M., Molecular tools for GABAA receptors: High affinity ligands for β1-containing subtypes Sci Rep. 2017 Jul 18;7(1):5674. doi: 10.1038/s41598-017-05757-4. read more >>
  • Pototschnig G., Maulide N., Schnürch M. Direct Functionalization of C-H Bonds by Iron, Nickel, and Cobalt Catalysis Chemistry. 2017 Jul 12;23(39):9206-9232. doi: 10.1002/chem.201605657 read more >>
  • Ji Y., Veldhuis MG, Zandvoort J., Romunde FL, Houtman MJC, Duran K. Van Haaften G., Zangerl-Plessl EM, Takanari H., Stary-Weinzinger A:, van der Heyden MAG PA-6 inhibits inward rectifier currents carried by V93I and D172N gain-of-function KIR2.1 channels, but increases channel protein expression J Biomed Sci. 2017 Jul 15;24(1):44. doi: 10.1186/s12929-017-0352-x. read more >>
  • Gardner A., Wu W., Thomson S., Zangerl-Plessl EM, Stary Weinzinger A., Sanguinetti M. Molecular basis of altered hERG1 channel gating induced by ginsenoside Rg3 Mol Pharmacol. 2017 Jul 13. pii: mol.117.108886. doi: 10.1124/mol.117.108886 read more >>
  • Saxena P., Hortigón-Vinagre M.P., Beyl S., Baburin I., Andranovits S., Iqbal SM, Costa A., Ijzerman AP, Kügler P., Timin E., Smith GL, Hering S Correlation between hERG channel inhibition and action potential prolongation Br J Pharmacol. 2017 Jul 6. doi: 10.1111/bph.13942 read more >>
  • Jain S., Grandits M., Richter L., Ecker GF Structure based classification for bile salt export pump (BSEP) inhibitors using comparative structural modeling of human BSEP J Comput Aided Mol Des. 2017 Jun;31(6):507-521. doi: 10.1007/s10822-017-0021-x. read more >>
  • Kudlacek O., Hofmaier T., Luf A., Mayer FP, Stockner T., Nagy C., Holy M., Freissmuth M., Schmidt R., Sitte HH Cocaine adulteration. J Chem Neuroanat. 2017 Jun 12. pii: S0891-0618(17)30003-0. doi: 10.1016/j.jchemneu.2017.06.001. read more >>
  • Moradi-Afrapoli F., van der Merwe H., De Mieri M., Wilhelm A., Stadler M., Zietsman PC, Hering S., Swart K., Hamburger M. HPLC-Based Activity Profiling for GABAA Receptor Modulators in Searsia pyroides Using a Larval Zebrafish Locomotor Assay Planta Med. 2017 May 16. doi: 10.1055/s-0043-110768 read more >>
  • Seddik A, Geerke DP, Stockner T, Holy M, Kudlacek O, Cozzi NV, Ruoho AE, Sitte HH, Ecker GF Combined Simulation and Mutation Studies to Elucidate Selectivity of Unsubstituted Amphetamine-like Cathinones at the Dopamine Transporter Mol Inform. 2017 May;36(5-6). doi: 10.1002/minf.201600094. Epub 2016 Nov 8. read more >>
  • Kainrath S., Stadler M., Reichhart E., Distel M., Janovjak H. Green-Light-Induced Inactivation of Receptor Signaling Using Cobalamin-Binding Domains. Angew Chem Int Ed Engl. 2017 Mar 20. doi: 10.1002/anie.201611998. read more >>
  • Goldmann D., Zdrazil B., Digles D., Ecker GF Empowering pharmacoinformatics by linked life science data J Comput Aided Mol Des. 2017 Mar;31(3):319-328. doi: 10.1007/s10822-016-9990-4. read more >>
  • Weil M., Siebert DCB, M. Schnürch M.; (Z)-4,6-Dichloro-N-(4-chlorophenyl)quinoline-3-carbimidoyl Chloride; IUCrData (International Union of Crystallography) read more >>
  • Berger M., Roller A., Maulide N., Synthesis and antimicrobial evaluation of novel analogues of dehydroabietic acid prepared by CH-Activation. Eur J Med Chem. 2017 Jan 27;126:937-943. doi: 10.1016/j.ejmech.2016.12.012. read more >>
  • Li Y., Mayer FP., Hasenhuetl PS, Burtscher V., Schicker K., Sitte HH., Freismuth M., Sandtner W. Occupancy of the Zinc Binding-site by Transition Metals decreases the Substrate Affinity of the Human Dopamine Transporter by an Allosteric Mechanism J Biol Chem. 2017 Jan 17. pii: jbc.M116.760140. doi: 10.1074/jbc.M116.760140. read more >>
  • Anderluh A., Hofmaier T., Klotzsch E., Kudlacek O., Stockner T., Sitte HH., Schütz GJ Direct PIP2 binding mediates stable oligomer formation of the serotonin transporter Nat Commun. 2017 Jan 19;8:14089. doi: 10.1038/ncomms14089. read more >>
  • Bernsteiner H, Bründl M, Stary-Weinzinger A. Dynamics of the EAG1 K+ channel selectivity filter assessed by molecular dynamics simulations. Biochem Biophys Res Commun. 2017 Jan 18. pii: S0006-291X(17)30098-0. doi: 10.1016/j.bbrc.2017.01.064. read more >>
    2016
  • Tona V., Ruider SA., Berger M., Shaaban S., Padmanaban M., Xie LG., González L., Maulide N. Divergent ynamide reactivity in the presence of azides – an experimental and computational study; Chem. Sci., 2016,7, 6032-6040, DOI: 10.1039/C6SC01945E, Accepted May 2016, First published online 10 Jun 2016 read more >>
  • Mayer FP, Luf A, Nagy C, Holy M, Schmid R, Freissmuth M, Sitte HH Application of a Combined Approach to Identify New Psychoactive Street Drugs and Decipher Their Mechanisms at Monoamine Transporters. Curr Top Behav Neurosci. 2016 Dec 27. doi: 10.1007/7854_2016_63. read more >>
  • Tarlungeanu D., Deliu E., Dotter CP, Kara M., Janiesch PC., Scalise M., Galluccio M., Tesulov M., MOrelli E., Sonmez FM, Bilguvar K., Ohgaki R., Kanai Y., Johansen A., Esharif S., Ben-Omran T., Topcu M., Schlessinger A., Indiveri C., Duncan KE., Caglayan AO., Gunel M., Gleeson JG, Novarino G.: Impaired Amino Acid Transport at the Blood Brain Barrier Is a Cause of Autism Spectrum Disorder Cell. 2016 Dec 1;167(6):1481-1494.e18. doi: 10.1016/j.cell.2016.11.013. read more >>
  • Rudroff F., Bianchi D., Moran-Ramallal R., Iqbal N., Dreier D., Mihovilovic MD; Synthesis of tetrahydrofuran-based natural products and their carba analogs via stereoselective enzyme mediated Baeyer–Villiger oxidation; Tetrahedron 2016.11 Vol 72, Issue 46, Pages 7212-7221 read more >>
  • Beyl S., Hohaus A., Andranovits S., Timin E., Hering S. Upward movement of IS4 and IIIS4 is a rate-limiting stage in Cav1.2 activation. Pflugers Arch. 2016 Nov;468(11-12):1895-1907. Epub 2016 Oct 29. read more >>
  • Sohail A, Jayaraman K, Venkatesan S, Gotfryd K, Daerr M, Gether U, Loland CJ, Wanner KT, Freissmuth M, Sitte HH, Sandtner W, Stockner T The Environment Shapes the Inner Vestibule of LeuT. PLoS Comput Biol. 2016 Nov 11;12(11):e1005197. doi: 10.1371/journal.pcbi.1005197. eCollection 2016. read more >>
  • Berger M., Chauhan R., Rodrigues C., Maulide N. Bridging C-H activation: Mild and versatile cleavage of the 8-Aminoquinoline directing group. Chemistry. 2016 Sep 19. doi: 10.1002/chem.201604344. read more >>
  • Sauerzopf U., Sacco R., Novarino G., Niello M., Weidenauer A., Praschak-Rieder N., Sitte H., Willeit M. Are reprogrammed cells a useful tool for studying dopamine dysfunction in psychotic disorders? A review of the current evidence. European Journal of Neuroscience, 2016 Sep 30. doi: 10.1111/ejn.13418. read more >>
  • Jurik A., Seddik A., Ecker G.F. Experimental Data Guided Docking of Small Molecules into Homology Models of Neurotransmitter Transporters Chapter · January 2016 DOI: 10.1007/978-1-4939-3765-3_5 In book: Neurotransmitter Transporters, pp.83-89 read more >>
  • Lee SJ., Ren F., Zangerl-Plessl EM, Heyman S., Stary-Weinzinger A., Yuan P., Nichols G. Structural basis of control of inward rectifier Kir2 channel gating by bulk anionic phospholipids The Journal of General Physiology, 2016 Aug 15. pii: jgp.201611616 read more >>
  • Yocum G.T., Gallos G., Zhang Y., Jahan R., Stephen M.R., Varagic Z., Puthenkalam R., Ernst M., Cook J.M. Emala C.W. Targeting the γ-Aminobutyric Acid A Receptor α4 Subunit in Airway Smooth Muscle to Alleviate Bronchoconstriction, American Journal of Respiratory Cell and Molecular Biology, Vol. 54, No. 4 (2016), doi: 10.1165/rcmb.2015-0176OC read more >>
  • Zdrazil B., Hellsberg E., Viereck M., Ecker G.F. From linked open data to molecular interaction: studying selectivity trends for ligands of the human serotonin and dopamine transporter Med. Chem. Commun., 2016, Advance Article DOI: 10.1039/C6MD00207B, July 2016 read more >>
  • Steinkellner T., Mayer F.P., Hofmaier T., Sitte H.H. Tracer Flux Measurements to Study Outward Transport by Monoamine Neurotransmitter Transporters Chapter · January 2016 DOI: 10.1007/978-1-4939-3765-3_2 In book: Neurotransmitter Transporters, pp.23-40 read more >>
  • Mayer FP, Wimmer L, Dillon-Carter O., Partilla JS, Burchardt N., Mihovilovic MD, Baumann MH, Sitte HH. Phase I metabolites of mephedrone display biological activity as substrates at monoamine transporters. Br J Pharmacol. 2016 Jul 8. doi: 10.1111/bph.13547. read more >>
  • Puthenkalam R., Hieckel M., Simeone X., Suwattanasophon Ch., Feldbauer R.V., Ecker G.F. and Ernst M. Structural Studies of GABA-A receptor binding sites: Which experimental structure tells us what? Front. Mol. Neurosci. | doi: 10.3389/fnmol.2016.00044 read more >>
  • Zhu R, Sinwel D, Hasenhuetl PS, Saha K, Kumar V, Zhang P, Rankl C, Holy M, Sucic S, Kudlacek O, Karner A, Sandtner W, Stockner T, Gruber HJ, Freissmuth M, Hauck Newman A, Sitte HH, Hinterdorfer P. Nanopharmacological Force Sensing to Reveal Allosteric Coupling in Transporter Binding Sites. Angew Chem Int Ed Engl. 2016 Jan;55(5):1719-22. doi: 10.1002/anie.201508755. Epub 2015 Dec 22. read more >>
  • Tobias Linder, Harald Bernsteiner,Priyanka Saxena, Florian Bauer, Thomas Erker, Eugen Timin, Steffen Heringa and Anna Stary-Weinzinger. Drug trapping in hERG K+ channels: (not) a matter of drug size? Med. Chem. Commun., 2016, Advance Article DOI: 10.1039/C5MD00443H, Received 02 Oct 2015, Accepted 18 Dec 2015First published online 22 Dec 2015 read more >>
  • Saxena P, Zangerl-Plessl EM, Linder T, Windisch A, Hohaus A, Timin E, Hering S, Stary-Weinzinger A. New potential binding determinant for hERG channel inhibitors. Sci Rep. 2016 Apr 12;6:24182. read more >>
  • Saxena P., Hortigón-Vinagre M.P., Beyl S., Baburin I., Costa A., Ijzermann A.P., Kügler P., Timin E., Smith G., Hering S. On the Relation between HERG Channel Block in Cell Line and Action Potential Prolongation in Human iPSC Cardiomyocytes DOI: 10.1016/j.bpj.2015.11.2819 read more >>
  • Reichhart E, Ingles-Prieto A, Tichy AM, McKenzie C, Janovjak H. A Phytochrome Sensory Domain Permits Receptor Activation by Red Light. Angew Chem Int Ed Engl. 2016 Apr 21. doi: 10.1002/anie.201601736. read more >>
  • Eigenmann DE, Dürig C, Jähne EA, Smieško M, Culot M, Gosselet F, Cecchelli R, Helms HC, Brodin B, Wimmer L, Mihovilovic MD, Hamburger M, Oufir M. In vitro blood-brain barrier permeability predictions for GABAA receptor modulating piperine analogs. Eur J Pharm Biopharm. 2016 Jun;103:118-26. doi: 10.1016/j.ejpb.2016.03.029. Epub 2016 Mar 24. read more >>
  • Jadel M. Kratz, Christina E. Mair, Sarah K. Oettl, Priyanka Saxena, Olaf Scheel, Daniela Schuster, Steffen Hering, Judith M. Rollinger hERG Channel Blocking Ipecac Alkaloids Identified by Combined In Silico – In Vitro Screening Planta Med; May 2016; read more >>
  • Khom S., Hintersteiner J., Luger D., Haider M., Pototschnig G., Mihovilovic MD, Schwarzer Ch., Hering, S. Analysis of -subunit-dependent GABAA receptor modulation and behavioral effects of valerenic acid derivatives Article in Journal of Pharmacology and Experimental Therapeutics · April 2016 read more >>
  • Schön M., Dreier D., Schnürch M., Mihovilovic MD.; Library synthesis of cardiomyogenesis inducing compounds using an efficient two-step-one-flow process, Chemical Monthly 2016.03, Vol 147, Issue 3, pp 523–532 read more >>
    2015
  • Du K, De Mieri M, Saxena P, Phungula KV, Wilhelm A, Hrubaru MM, van Rensburg E, Zietsman PC, Hering S, van der Westhuizen JH, Hamburger M HPLC-Based Activity Profiling for hERG Channel Inhibitors in the South African Medicinal Plant Galenia africana Planta Med. 2015 Aug;81(12-13):1154-62. doi: 10.1055/s-0035-1545929. Epub 2015 Apr 29. read more >>
  • Wimmer L., Rycek L., Koley M., Schnürch M. Metal Catalyzed Cross-Coupling Reactions in the Decoration of Pyrimidine, Pyridazine, and Pyrazine Chapter in book: Synthesis and Modification of Heterocycles by Metal-Catalyzed Cross-coupling Reactions, Volume 45 of the series Topics in Heterocyclic Chemistry pp 61-157 Date: 01 April 2015, DOI: 10.1007/7081_2014_138 read more >>
  • Darmgaard M., Al-Khawaja A., Vogensen S.B., Jurik A., Sijm M., Lie M.E.K., Baek M.I., Rosenthal E., Jensen A.A., Ecker G.F., Frolund B., Wellendorph P., Clausen R.P. Identification of the First Highly Subtype-Selective Inhibitor of Human GABA Transporter GAT3 ACS Chemical Neuroscience 2015, 6 (9), DOI: 10.1021/acschemneuro.5b00150, July 2015 read more >>
  • Pumroy R.A., Ke S., Hart D.J., Zachariae U., Cingolani G. Molecular Determinants for Nuclear Import of Influenza A PB2 by Importin α Isoforms 3 and 7 Structure; Vol 23, Issue 2, Feb 2015 read more >>
  • Souris C, Misale A, Chen Y, Luparia M, Maulide N. From Stereodefined Cyclobutenes to Dienes: Total Syntheses of Ieodomycin D and the Southern Fragment of Macrolactin A. Org Lett. 2015 Sep 18;17(18):4486-9. doi: 10.1021/acs.orglett.5b02149. Epub 2015 Sep 9. read more >>
  • McKenzie CK, Sanchez-Romero I, Janovjak H. Flipping the Photoswitch: Ion Channels Under Light Control. Adv Exp Med Biol. 2015;869:101-17. doi: 10.1007/978-1-4939-2845-3_6 read more >>
  • Hellsberg E, Montanari F, Ecker GF. The ABC of Phytohormone Translocation. Planta Med. 2015 Apr;81(6):474-87. doi: 10.1055/s-0035-1545880. Epub 2015 Apr 23. read more >>
  • SanthoshKannan Venkatesan, Kusumika Saha, Azmat Sohail, Walter Sandtner, Michael Freissmuth, Gerhard F Ecker, Harald H Sitte, Thomas Stockner. Refinement of the Central Steps of Substrate Transport by the Aspartate Transporter GltPh: Elucidating the Role of the Na2 Sodium Binding Site. PLoS Computational Biology 10/2015; 11(10):e1004551. DOI:10.1371/journal.pcbi.1004551 read more >>
  • Harald H. Sitte, SanthoshKannan Venkatesan, Azmat Sohail, Kusumika Saha, Kumaresan Jayaraman, Gerhard F. Ecker, Michael Freissmuth, Walter Sandtner, Thomas Stockner. Transporters in Motion: Combining Computational Approaches and LRET-Measurements. Biophysical Journal 108(2):199a · January 2015 read more >>
  • Sandtner W, Stockner T, Hasenhuetl PS, Partilla JS, Seddik A, Zhang Y, Cao J, Holy M, Steinkellner T, Rudnick G, Baumann MH, Ecker GF, Newman AH, Sitte HH. Binding Mode Selection Determines the Action of Ecstasy Homologs at Monoamine Transporters. Mol Pharmacol. 2015 Oct 30. pii: mol.115.101394. [Epub ahead of print] read more >>
  • Yocum GT, Gallos G, Zhang Y, Jahan R, Stephen MR, Varagic Z, Puthenkalam R, Ernst M, Cook JM, Emala CW. Targeting the GABAA Receptor α4 Subunit in Airway Smooth Muscle to Alleviate Bronchoconstriction. Am J Respir Cell Mol Biol. 2015 Sep 25 read more >>
  • Mair CE, Liu R, Atanasov AG, Wimmer L, Nemetz-Fiedler D, Sider N, Heiss EH, Mihovilovic MD, Dirsch VM, Rollinger JM. Piperine Congeners as Inhibitors of Vascular Smooth Muscle Cell Proliferation. Planta Med. 2015 Aug read more >>
  • Rubi L, Gawali VS, Kubista H, Todt H, Hilber K, Koenig X. Proper Voltage-Dependent Ion Channel Function in Dysferlin-Deficient Cardiomyocytes. Cell Physiol Biochem. 2015;36(3):1049-58 read more >>
  • Hoffmeister L, Fukuda T, Pototschnig G, Fürstner A. Total synthesis of an exceptional brominated 4-pyrone derivative of algal origin: an exercise in gold catalysis and alkyne metathesis. Chemistry. 2015 Mar 16;21(12):4529-33 read more >>
  • Neudorfer C, Seddik A, Shanab K, Jurik A, Rami-Mark C, Holzer W, Ecker G, Mitterhauser M, Wadsak W, Spreitzer H. Synthesis and in silico evaluation of novel compounds for PET-based investigations of the norepinephrine transporter. Molecules. 2015 Jan 20;20(1):1712-30. read more >>
  • Inglés-Prieto Á, Reichhart E, Muellner MK, Nowak M, Nijman SM2, Grusch M, Janovjak H. Light-assisted small-molecule screening against protein kinases. Nat Chem Biol. 2015 Oct 12 read more >>
  • Gawali VS, Lukacs P, Cervenka R, Koenig X, Rubi L, Hilber 1, Sandtner W, Todt H. Mechanism of Modification, by Lidocaine, of Fast and Slow Recovery from Inactivation of Voltage-Gated Na+ Channels. Mol Pharmacol. 2015 Sep 10. read more >>
  • Bernaskova M, Schoeffmann A, Schuehly W, Hufner A, Baburin I, Hering S. Nitrogenated honokiol derivatives allosterically modulate GABAA receptors and act as strong partial agonists. Bioorg Med Chem. 2015 Aug 28 read more >>
  • Luger D, Poli G, Wieder M, Stadler M, Ke S, Ernst M, Hohaus A, Linder T, Seidel T, Langer T, Khom S, Hering S. Identification of the putative binding pocket of valerenic acid on GABAA receptors using docking studies and site-directed mutagenesis. Br J Pharmacol. 2015 Sep 16. read more >>
  • De Mieri M, Du K, Neuburger M, Saxena P, Zietsman PC, Hering S, van der Westhuizen JH, Hamburger M. HERG Channel Inhibitory Daphnane Diterpenoid Orthoesters and Polycephalones A and B with Unprecedented Skeletons from Gnidia polycephala. J Nat Prod. 2015 Jul 24;78(7):1697-707. read more >>
  • Grienke U, Mair CE, Saxena P, Baburin I, Scheel O, Ganzera M, Schuster D, Hering S, Rollinger JM. Human Ether-à-go-go Related Gene (hERG) Channel Blocking Aporphine Alkaloids from Lotus Leaves and Their Quantitative Analysis in Dietary Weight Loss Supplements. J Agric Food Chem. 2015 Jun 17;63(23):5634-9. read more >>
  • Vogensen SB, Jørgensen L, Madsen KK, Jurik A, Borkar N, Rosatelli E, Nielsen B, Ecker GF, Schousboe A, Clausen RP. Structure activity relationship of selective GABA uptake inhibitors. Bioorg Med Chem. 2015 May 15;23(10):2480-8. read more >>
  • Steinkellner T, Montgomery TR, Hofmaier T, Kudlacek O, Yang JW, Rickhag M, Jung G, Lubec G, Gether U, Freissmuth M, Sitte HH. Amphetamine action at the cocaine- and antidepressant-sensitive serotonin transporter is modulated by αCaMKII. J Neurosci. 2015 May 27;35(21):8258-71 read more >>
  • Goldmann D, Pakfeifer P, Hering S, Ecker GF. Novel scaffolds for modulation of TRPV1 identified with pharmacophore modeling and virtual screening. Future Med Chem. 2015;7(3):243-56. read more >>
  • Saha K, Partilla JS, Lehner KR, Seddik A, Stockner T, Holy M, Sandtner W, Ecker GF, Sitte HH, Baumann MH. 'Second-generation' mephedrone analogs, 4-MEC and 4-MePPP, differentially affect monoamine transporter function. Neuropsychopharmacology. 2015 May;40(6):1321-31 read more >>
  • Linder T, Wang S, Zangerl-Plessl EM, Nichols CG, Stary-Weinzinger A. Molecular Dynamics Simulations of KirBac1.1 Mutants Reveal Global Gating Changes of Kir Channels. J Chem Inf Model. 2015 Apr 3 read more >>
  • Jurik A, Zdrazil B, Holy M, Stockner T, Sitte HH, Ecker GF. A binding mode hypothesis of tiagabine confirms liothyronine effect on γ-aminobutyric acid transporter 1 (GAT1). J Med Chem. 2015 Mar 12;58(5):2149-58. read more >>
    2014
  • Rueda DC, Schöffmann A., De Mieri M., Raith M., Jähne EA, Hering S., Hamburger M. Identification of dihydrostilbenes in Pholidota chinensis as a new scaffold for GABAA receptor modulators. Bioorganic & Medicinal Chemistry 2014 Feb 15;22(4):1276-84. doi: 10.1016/j.bmc.2014.01.008. Epub 2014 Jan 10 read more >>
  • Neudorfer C., Shanab K., Jurik A., Schreiber V., Neudorfer C., Vraka C., Schirmer E., Holzer W., Ecker G.F., Mitterhauser M., Wadsak W., Spreitzer H. 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, Issue 18, Sept. 2014, doi.org/10.1016/j.bmcl.2014.07.085 read more >>
  • Chevalier M., Amuzescu B., Gawali V., Todt H., Knott T., Scheel O., Abriel H. Late cardiac sodium current can be assessed using automated patch-clamp. F1000Res. 2014 Oct 16;3:245. doi: 10.12688/f1000research.5544.1. eCollection 2014. read more >>
  • SanthoshKannan Venkatesan, Azmat Sohail, Kusumika Saha, Gerhard Ecker,Thomas Stockner, Walter Sandtner, Harald Sitte. The Aspartate Transporter in Motion - Combining Steered Molecular Dynamics with Lanthanide Resonance Energy Transfer based Distance Measurements. Biophysical Journal 01/2014; 106(2):366a. DOI:10.1016/j.bpj.2013.11.2077 read more >>
  • Wimmer L, Schönbauer D, Pakfeifer P, Schöffmann A, Khom S, Hering S, Mihovilovic MD. Developing piperine towards TRPV1 and GABAA receptor ligands--synthesis of piperine analogs via Heck-coupling of conjugated dienes. Org Biomol Chem. 2015 Jan 28;13(4):990-4. doi: 10.1039/c4ob02242d. Epub 2014 Dec 1. read more >>
  • Fenollar-Ferrer C, Stockner T, Schwarz TC, Pal A, Gotovina J, Hofmaier T, Jayaraman K, Adhikary S, Kudlacek O, Mehdipour AR, Tavoulari S, Rudnick G, Singh SK, Konrat R, Sitte HH, Forrest LR. Structure and regulatory interactions of the cytoplasmic terminal domains of serotonin transporter. Biochemistry. 2014 Aug 26;53(33):5444-60 read more >>
  • Rycek L, Puthenkalam R, Schnürch M, Ernst M, Mihovilovic MD. Metal-assisted synthesis of unsymmetrical magnolol and honokiol analogs and their biological assessment as GABAA receptor ligands. Bioorg Med Chem Lett. 2015 Jan 15;25(2):400-3. doi: 10.1016/j.bmcl.2014.10.091. Epub 2014 Nov 4. read more >>
  • Linder T, Saxena P, Timin E, Hering S, Stary-Weinzinger A, Structural insights into trapping and dissociation of small molecules in K+ channels; J Chem Inf Model, accepted read more >>
  • Kratz J.M., Schuster D, Edtbauer M, Saxena P, Mair CE, Kirchebner J, Matuszczak B, Baburin I, Hering S, Rollinger J.M., Experimentally validated hERG pharmacophore models as cardiotoxicity prediction tools.J Chem Inf Model. 2014 Aug 22 read more >>
  • Lukacs P, Gawali V.S., Cervenka R., Ke S., Koenig X., Rubi L., Zarrabi T., Hilber K., Stary-Weinzinger A., Todt H. Exploring the structure of the voltage-gated Na+ channel by an engineered drug access pathway to the receptor site for local anesthetics. J Biol Chem. pii: jbc.M113.541763. read more >>
  • Middendorp SJ1, Puthenkalam R, Baur R, Ernst M, Sigel E. Accelerated Discovery of Novel Benzodiazepine Ligands by Experiment-Guided Virtual Screening. ACS Chem Biol. 2014 Jun 27. read more >>
  • Ke S, Timin EN, Stary-Weinzinger A. Different inward and outward conduction mechanisms in NavMs suggested by molecular dynamics simulations. PLoS Comput Biol. 2014 Jul 31;10(7):e1003746. read more >>
  • Beyl S, Kügler P, Hohaus A, Depil K, Hering S, Timin E.; Methods for quantification of pore-voltage sensor interaction in CaV1.2. Pflugers Arch. 2014 Feb; 466(2):265-74. read more >>
  • Thurner P, Stary-Weinzinger A, Gafar H, Gawali VS, Kudlacek O, Zezula J, Hilber K, Boehm S, Sandtner W, Koenig; Mechanism of HERG channel block by the psychoactive indole alkaloid ibogaine. J Pharmacol Exp Ther. 2014 Feb; 348(2):346-58. read more >>
  • Schramm A, Saxena P, Chlebek J, Cahlikova L, Baburin I, Hering S, Hamburger M; Natural products as potential human ether-a-go-go-related gene channel inhibitors - screening of plant-derived alkaloids. Planta Med. 80(8-9):740-6 read more >>
  • Hintersteiner J, Haider M, Luger D, Schwarzer C, Reznicek G, Jäger W, Khom S, Mihovilovic MD, Hering S; Esters of valerenic acid as potential prodrugs. Eur J Pharmacol. 2014 Mar 27; 735C:123-131. doi: 10.1016/j.ejphar.2014.03.019. read more >>
  • 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. Efficient Modulation of γ-Aminobutyric Acid Type A (GABAA) Receptors by Piperine Derivatives. J Med Chem. 2014 Jun 6. DOI: 10.1021/jm5002277 read more >>
  • Goldmann D, Montanari F, Richter L, Zdrazil B, Ecker GF. Exploiting open data: a new era in pharmacoinformatics. Future Med Chem. 2014 Apr;6(5):503-14. doi: 10.4155/fmc.14.13. read more >>
  • Steinkellner T, Mus L, Eisenrauch B, Constantinescu A, Leo D, Konrad L, Rickhag M, Sørensen G, Efimova EV, Kong E, Willeit M, Sotnikova TD, Kudlacek O, Gether U, Freissmuth M, Pollak DD, Gainetdinov RR, Sitte HH. In vivo Amphetamine Action is Contingent on αCaMKII. Neuropsychopharmacology. 2014 May 29. doi: 10.1038/npp.2014.124. read more >>
  • Montgomery TR, Steinkellner T, Sucic S, Koban F, Schüchner S, Ogris E, Sitte HH, Freissmuth M. Axonal Targeting of the Serotonin Transporter in Cultured Rat Dorsal Raphe Neurons Is Specified by SEC24C-Dependent Export from the Endoplasmic Reticulum. J Neurosci. 2014 Apr 30; 34(18):6344-51. doi: 10.1523/JNEUROSCI.2991-13.2014. read more >>
    2013
  • Koenig X, Rubi L, Obermair GJ, Cervenka R, Dang XB, Lukacs P, Kummer S, Bittner RE, Kubista H, Todt H, Hilber K.; Enhanced currents through L-type calcium channels in cardiomyocytes disturb the electrophysiology of the dystrophic heart. Am J Physiol Heart Circ Physiol. 2013 Dec 13. read more >>
  • Koenig X, Kovar M, Rubi L, Mike AK, Lukacs P, Gawali VS, Todt H, Hilber K, Sandtner W.; Anti-addiction drug ibogaine inhibits voltage-gated ionic currents: a study to assess the drug's cardiac ion channel profile. Toxicol Appl Pharmacol. 2013 Dec 1; 273(2):259-68. read more >>
  • Mirheydari P, Ramerstorfer J, Varagic Z, Scholze P, Wimmer L, Mihovilovic MM, Sieghart W, Ernst M.; Unexpected Properties of δ-Containing GABAA Receptors in Response to Ligands Interacting with the α+ β- Site. Neurochem Res. 2013 Sep 26. read more >>
  • Hofmaier T, Luf A, Seddik A, Stockner T, Holy M, Freissmuth M, Ecker GF, Schmid R, Sitte HH, Kudlacek O. Aminorex, a metabolite of the cocaine adulterant levamisole, exerts amphetamine like actions at monoamine transporters read more >>
  • Baumann MH, Bulling S, Benaderet TS, Saha K, Ayestas MA, Partilla JS, Ali SF, Stockner T, Rothman RB, Sandtner W, Sitte HH. Evidence for a Role of Transporter-Mediated Currents in the Depletion of Brain Serotonin Induced by Serotonin Transporter Substrates . Neuropsychopharmacology. 2013 Nov 28. read more >>
  • Buchmayer F, Schicker K, Steinkellner T, Geier P, Stübiger G, Hamilton PJ, Jurik A, Stockner T, Yang JW, Montgomery T, Holy M, Hofmaier T, Kudlacek O, Matthies HJ, Ecker GF, Bochkov V, Galli A, Boehm S, Sitte HH. Amphetamine actions at the serotonin transporter rely on the availability of phosphatidylinositol-4,5-bisphosphate. Proc Natl Acad Sci U S A. 2013 Jun 24. read more >>
  • Seddik A, Holy M, Weissensteiner R, Zdrazil B, Sitte HH, Ecker GF. Probing the Selectivity of Monoamine Transporter Substrates by Means of Molecular Modeling. Mol Inform. 2013 May; 32(5-6): 409-413. read more >>
  • Tsareva D, Ecker GF. How Far Could We Go with Open Data – A Case Study for TRPV1 Antagonists. Mol Inform. 2013 May; 32(5-6): 555-562. read more >>
  • Jurik A, Reicherstorfer R, Zdrazil B, Ecker GF. Classification of High-Activity Tiagabine Analogs by Binary QSAR Modeling.Mol Inform. 2013 May; 32(5-6): 415-419. read more >>
  • Linder T, de Groot B, Stary-Weinzinger A; Probing the energy landscape of activation gating of the bacterial potassium channel KcsA. PLoS Comput Biol. 2013 May 02; 9(5): e1003058. read more >>
  • Varagic Z, Wimmer L, Schnürch M, Mihovilovic MD, Huang S, Rallapalli S, Cook JM, Mirheydari P, Ecker GF, Sieghart W, Ernst M; Identification of novel positive allosteric modulators and null modulators at the GABAA receptor α+β- interface. Br J Pharmacol. 2013 May;169(2):371-83. doi: 10.1111/bph.12151. read more >>
  • Khom S, Strommer B, Schöffmann A, Hintersteiner J, Baburin I, Erker T, Schwarz T, Schwarzer C, Zaugg J, Hamburger M, Hering S;GABAA receptor modulation by piperine and a non-TRPV1 activating derivative. Biochem Pharmacol. 2013 Apr 25; pii: S0006-2952(13)00259-1. doi: 10.1016/j.bcp.2013.04.017. read more >>
  • Takanari H, Nalos L, Stary-Weinzinger A, de Git KC, Varkevisser R, Linder T, Houtman MJ, Peschar M, de Boer TP, Tidwell RR, Rook MB, Vos MA, van der Heyden MA; Efficient and specific cardiac IK1 inhibition by a new pentamidine analogue. Cardiovasc Res. 2013 Apr 25. [Epub ahead of print] read more >>
  • Varkevisser R, Houtman MJ, Linder T, de Git KC, Beekman HD, Tidwell RR, Ijzerman AP, Stary-Weinzinger A, Vos MA, van der Heyden MA; Structure-activity relationships of pentamidine-affected ion channel trafficking and dofetilide mediated rescue. Br J Pharmacol. 2013 Apr 16 read more >>
  • Ke S, Zangerl EM, Stary-Weinzinger A; Distinct interactions of Na(+) and Ca(2+) ions with the selectivity filter of the bacterial sodium channel Na(V)Ab. Biochem Biophys Res Commun. 2013 Jan 25;430(4):1272-6. read more >>
    2012
  • Beyl S, Depil K, Hohaus A, Stary-Weinzinger A, Linder T, Timin E, Hering S; Neutralisation of a single voltage sensor affects gating determinants in all four pore-forming S6 segments of Ca(V)1.2: a cooperative gating model. Pflugers Arch. 2012 Oct;464(4):391-401. Epub 2012 Sep 2. read more >>
  • Bulling S, Schicker K, Zhang YW, Steinkellner T, Stockner T, Gruber CW, Boehm S, Freissmuth M, Rudnick G, Sitte HH, Sandtner W. et al. J Biol Chem. 2012 May 25;287(22):18524-34. read more >>
  • Steinkellner T, Yang JW, Montgomery TR, Chen WQ, Winkler MT, Sucic S, Lubec G, Freissmuth M, Elgersma Y, Sitte HH, Kudlacek O. aCaMKII controls the activity of the dopamine transporter: implications for Angelman syndrome. J Biol Chem. 2012 Jul 9. [Epub ahead of print] PubMed PMID: 22778257. read more >>
    2011
  • Depil K, Beyl S, Stary-Weinzinger A, Hohaus A, Timin E, Hering S; J Biol Chem. 2011 Sep 9;286(36):31557-64. Epub 2011 Jun 17. read more >>
  • Kirsten Knape, Tobias Linder, Peter Wolschann, Anton Beyer, Anna Stary-Weinzinger; PLoS ONE 6(12): e28778. read more >>