Publications

2024

PREPRINT (not been certified by peer-review):

Michelle Gallei, Sven Truckenbrodt, Caroline Kreuzinger, Syamala Inumella, Vitali Vistunou, Christoph Sommer, Mojtaba R. Tavakoli, Nathalie Agudelo-Duenas, Jakob Vorlaufer, Wiebke Jahr, Marek Randuch, Alexander Johnson, Eva Benkova, Jiri Friml, Johann Georg Danzl; Super-resolution expansion microscopy in plant roots. doi: 10.1101/2024.02.21.581330; https://www.biorxiv.org/content/10.1101/2024.02.21.581330v1

260) Helmke P, Füzi B, Ecker GF. Bioactivity descriptors for in vivo toxicity prediction: now and the future. Expert Opin Drug Metab Toxicol. 2024 Apr 4:1-3. doi: 10.1080/17425255.2024.2334308

259) Saridakis I, Riomet M, Belleza OJV, Coussanes G, Singer NK, Kastner N, Xiao Y, Smith E, Tona V, de la Torre A, Lopes EF, Sánchez-Murcia PA, González L, Sitte HH, Maulide N. PyrAtes: Modular Organic Salts with Large Stokes Shifts for Fluo-rescence Microscopy. Angew Chem Int Ed Engl. 2024 Apr 3:e202318127. doi: 10.1002/anie.202318127.

258) Sajan SA, Gradisch R, Vogel FD, Coffey AJ, Salyakina D, Soler D, Jayakar P, Jayakar A, Bianconi SE, Cooper AH, Liu S, William N, Benkel-Herrenbrück I, Maiwald R, Heller C, Biskup S, Leiz S, Westphal DS, Wagner M, Clarke A, Stockner T, Ernst M, Kesari A, Krenn M. De novo variants in GABRA4 are associated with a neurological phenotype including developmental delay, behavioral abnormalities and epilepsy. Eur J Hum Genet. 2024 Apr 2. doi: 10.1038/s41431-024-01600-3.

257) Stary-Weinzinger A. In silico models of the macromolecular Na_V1.5-K_IR2.1 complex. Front Physiol. 2024 Feb 26;15:1362964. doi: 10.3389/fphys.2024.1362964. PMID: 38468705; PMCID: PMC10925717.

256) Granulo N, Sosnin S, Digles D, Ecker G. The macrocycle inhibitor landscape of SLC-transporter. Mol Inform. 2024 Jan 30. doi: 10.1002/minf.202300287. PMID: 38288682.

255) Gradisch R, Schlögl K, Lazzarin E, Niello M, Maier J, Mayer FP, Alves da Silva L, Skopec SMC, Blakely RD, Sitte HH, Mihovilovic MD, Stockner T. Ligand coupling mechanism of the human serotonin transporter differentiates substrates from inhibitors - PubMed (nih.gov). Nat Commun. 2024 Jan 10;15(1):417. doi: 10.1038/s41467-023-44637-6
2023

254) Schmidt C, Deyett A, Ilmer T, Haendeler S, Torres Caballero A, Novatchkova M, Netzer MA, Ceci Ginistrelli L, Mancheno Juncosa E, Bhattacharya T, Mujadzic A, Pimpale L, Jahnel SM, Cirigliano M, Reumann D, Tavernini K, Papai N, Hering S, Hofbauer P, Mendjan S. Multi-chamber cardioids unravel human heart development and cardiac defects. Cell. 2023 Dec 7;186(25):5587-5605.e27. doi: 10.1016/j.cell.2023.10.030. Epub 2023 Nov 28. PMID: 38029745.

253) Mayer FP, Niello M, Bulling S, Zhang YW, Li Y, Kudlacek O, Holy M, Kooti F, Sandtner W, Rudnick G, Schmid D, Sitte HH. Mephedrone induces partial release at human dopamine transporters but full release at human serotonin transporters. Neuropharmacology. 2023 Dec 1;240:109704. doi: 10.1016/j.neuropharm.2023.109704. PMID: 37703919.

252) Singer NK, González L, Monari A. Molecular Photoswitches Regulating the Activity of the Human Serotonin Transporter. J Phys Chem Lett. 2023 Nov 9:10333-10339. doi: 10.1021/acs.jpclett.3c02655. PMID: 37944933.

251) Mühlberger MM, Kopp S, Deyett AA, Pribyl M, Haslinger MJ, Siegel AM, Taus P, Guillén E, Torres-Caballero A, Baltov B, Netzer M., (....) Hering S., Wanzenboeck HD; Nanoimprinted Hierarchical Micro-/Nanostructured Substrates for the Growth of Cardiomyocyte Fibers. Nanomanufacturing. 2023; 3(4):416-433. doi.org/10.3390/nanomanufacturing3040026

250) Smajić A, Grandits M, Ecker GF. Privacy-preserving techniques for decentralized and secure machine learning in drug discovery. Review. Drug Discov Today. 2023 Nov 5:103820. doi: 10.1016/j.drudis.2023.103820. PMID: 37935330. https://pubmed.ncbi.nlm.nih.gov/37935330/

249) Draskovits M, Catorci D, Wimmer L, Rehman S, Siebert DCB, Ernst M, Schnürch M, Mihovilovic MD. Novel synthetic procedures for C2 substituted imidazoquinolines as ligands for the α/β-interface of the GABAA-receptor - PubMed (nih.gov) Monatsh Chem. 2023;154(12):1391-1404. doi: 10.1007/s00706-022-02988-8.

248) Singer NK, Schlögl K, Zobel JP, Mihovilovic MD, González L.; Singlet and Triplet Pathways Determine the Thermal Z/E Isomerization of an Arylazopyrazole-Based Photoswitch. J Phys Chem Lett. 2023 Sep 29:8956-8961. doi: 10.1021/acs.jpclett.3c01785.

247) Michalska JM, Lyudchik J, Velicky P, Štefaničková H, Watson JF, Cenameri A, Sommer C, Amberg N, Venturino A, Roessler K, Czech T, Höftberger R, Siegert S, Novarino G, Jonas P, Danzl JG. Imaging brain tissue architecture across millimeter to nanometer scales. Nat Biotechnol. 2023 Aug 31. doi: 10.1038/s41587-023-01911-8. PMID: 37653226.

Press release by ISTA: https://ist.ac.at/en/news/a-look-into-the-brains-architecture/

246) Maksaev G, Bründl-Jirout M, Stary-Weinzinger A, Zangerl-Plessl EM, Lee SJ, Nichols CG. Subunit gating resulting from individual protonation events in Kir2 channels. Nat Commun. 2023 Jul 28;14(1):4538. doi: 10.1038/s41467-023-40058-7. PMID: 37507406; PMCID: PMC10382558.

Press release University of Vienna: https://medienportal.univie.ac.at/en/media/recent-press-releases/detailansicht-en/artikel/new-study-sheds-light-on-the-gating-mechanism-of-ion-channels/

245) Smajić A, Rami I, Sosnin S, Ecker GF. Identifying Differences in the Performance of Machine Learning Models for Off-Targets Trained on Publicly Available and Proprietary Data Sets. Chem Res Toxicol. 2023 Jul 13. doi: 10.1021/acs.chemrestox.3c00042.

244) Velicky P, Miguel E, Michalska JM, Lyudchik J, Wei D, Lin Z, Watson JF, Troidl J, Beyer J, Ben-Simon Y, Sommer C, Jahr W, Cenameri A, Broichhagen J, Grant SGN, Jonas P, Novarino G, Pfister H, Bickel B, Danzl JG. Dense 4D nanoscale reconstruction of living brain tissue. Nat Methods. 2023 Jul 10. doi: 10.1038/s41592-023-01936-6. Epub ahead of print. PMID: 37429995.

243) Filip Koniuszewski 1†, Florian D. Vogel 1†, Irena Dajić 2, Thomas Seidel 3, Markus Kunze 1, Matthäus Willeit 2 and Margot Ernst 1*; Navigating the complex landscape of benzodiazepine- and Z-drug diversity. insights from comprehensive FDA adverse event reporting system analysis and beyond; Front. Psychiatry, 23 June 2023 Sec. Addictive Disorders Volume 14 - 2023 | https://doi.org/10.3389/fpsyt.2023.1188101

242) Bampali K, Koniuszewski F, Vogel FD, Fabjan J, Andronis C, Lekka E, Virvillis V, Seidel T, Delaunois A, Royer L, Rolf MG, Giuliano C, Traebert M, Roussignol G, Fric-Bordat M, Mazelin-Winum L, Bryant SD, Langer T, Ernst M. GABA_A receptor-mediated seizure liabilities: a mixed-methods screening approach. Cell Biol Toxicol. 2023 Apr 24. doi: 10.1007/s10565-023-09803-y.

241) Baltov B, Beyl S, Baburin I, Reinhardt J, Szkokan P, Garifulina A, Timin E, Kraushaar U, Potterat O, Hamburger M, Kügler P, Hering S. Assay for evaluation of proarrhythmic effects of herbal products: Case study with 12 Evodia preparations. Toxicol Rep. 2023 Apr 26;10:589-599. doi: 10.1016/j.toxrep.2023.04.014. PMID: 37213814; PMCID: PMC10196857.

240) Vega Alanis BA, Wimmer L, Ernst M, Schnürch M, Mihovilovic MD. Novel pyrazolothienopyridinones as potential GABAA receptor modulators - PubMed (nih.gov). Monatsh Chem. 2023;154(12):1427-1439. doi: 10.1007/s00706-023-03063-6. Epub 2023 Apr 13.

239) Füzi B, Mathai N, Kirchmair J, Ecker GF. Toxicity prediction using target, interactome, and pathway profiles as descriptors. Toxicol Lett. 2023 Apr 13:S0378-4274(23)00163-7. doi: 10.1016/j.toxlet.2023.04.005

Link to group report

238) Knaus LS, Basilico B., Malzl D., Gerykova Bujalkova M., Smogavec M., Schwarz LA, Gorkiewicz S., Amberg N., Pauler FM, Knittl-Frank C., Tassinari M., Maulide M., Rülicke T., Menche J., Hippenmeyer S., Novarino G. Large neutral amino acid levels tune perinatal neuronal excitability and survival: Cell Cell 186, 1–18 April 27, 2023 doi.org/10.1016/j.cell.2023.02.037

Press release ISTA english: https://ist.ac.at/en/news/feed-them-or-lose-them/

237) Faleschini T, Syafni N, Schulte HL, Garifulina A, Hering S, Espindola LS, Hamburger M. A neolignan from Connarus tuberosus as an allosteric GABAA receptor modulator at the neurosteroid binding site - PubMed (nih.gov) Biomed Pharmacother. 2023 Mar 10;161:114498. doi: 10.1016/j.biopha.2023.114498

236) Reiner MM, Bachmair B, Tiefenbacher MX, Mai S, González L, Marquetand P, Dellago C. Nonadiabatic Forward Flux Sampling for Excited-State Rare Events - PubMed (nih.gov) J Chem Theory Comput. 2023 Mar 1. doi: 10.1021/acs.jctc.2c01088.

235) Zangerl-Plessl E-M, Wu W, Sanguinetti MC and Stary-Weinzinger A (2023), Frontiers | Binding of RPR260243 at the intracellular side of the hERG1 channel pore domain slows closure of the helix bundle crossing gate (frontiersin.org) Front. Mol. Biosci. 10:1137368. doi: 10.3389/fmolb.2023.1137368

234) Niello M, Sideromenos S, Gradisch R, O Shea R, Schwazer J, Maier J, Kastner N, Sandtner W, Jäntsch K, Lupica CR, Hoffman AF, Lubec G, Loland CJ, Stockner T, Pollak DD, Baumann MH, Sitte HH. Persistent binding at dopamine transporters determines sustained psychostimulant effects - PubMed (nih.gov) Proc Natl Acad Sci U S A. 2023 Feb 7;120(6):e2114204120. doi: 10.1073/pnas.2114204120

233) Huang J, Ecker GF. A Structure-Based View on ABC-Transporter Linked to Multidrug Resistance - PubMed (nih.gov). 2023 Jan 4;28(2):495. doi: 10.3390/molecules28020495.
2022

232) Heider J, Kilian J, Garifulina A, Hering S, Langer T, Seidel T. Apo2ph4: Apo2ph4: A Versatile Workflow for the Generation of Receptor-based Pharmacophore Models for Virtual Screening - PubMed (nih.gov). J Chem Inf Model. 2023 Jan 9;63(1):101-110. doi: 10.1021/acs.jcim.2c00814. Epub 2022 Dec 16.



231) Maskeri MA, Fernandes AJ, Di Mauro G, Maulide N, Houk KN. Taming Keteniminium Reactivity by Steering Reaction Pathways: Computational Predictions and Experimental Validations - PubMed (nih.gov) J Am Chem Soc. 2022 Dec 16. doi: 10.1021/jacs.2c09146.

230) Mayer FP, Niello M, Cintulova D, Sideromenos S, Maier J, Li Y, Bulling S, Kudlacek O, Schicker K, Iwamoto H, Deng F, Wan J, Holy M, Katamish R, Sandtner W, Li Y, Pollak DD, Blakely RD, Mihovilovic MD, Baumann MH, Sitte HH. Serotonin-releasing agents with reduced off-target effects. Mol Psychiatry. 2022 Nov 9:1–11. doi: 10.1038/s41380-022-01843-w

229) Philip Schmiedhofer, Florian Daniel Vogel, Filip Koniuszewski, Margot Ernst; Cys-loop receptors on cannabinoids: All high?; Front. Physiol., 09 November 2022 Sec. Membrane Physiology and Membrane Biophysics https://doi.org/10.3389/fphys.2022.1044575

228) JKhanppnavar B, Maier J, Herborg F, Gradisch R, Lazzarin E, Luethi D, Yang JW, Qi C, Holy M, Jäntsch K, Kudlacek O, Schicker K, Werge T, Gether U, Stockner T, Korkhov VM, Sitte HH. Structural basis of organic cation transporter-3 inhibition. Nat Commun. 2022 Nov 7;13(1):6714. doi: 10.1038/s41467-022-34284-8.

227) Klose I, Di Mauro G, Kaldre D, Maulide N. Inverse hydride shuttle catalysis enables the stereoselective one-step synthesis of complex frameworks. Nat Chem. 2022 Oct 20. doi: 10.1038/s41557-022-00991-4.

226) Smajić A, Grandits M, Ecker GF. Using Jupyter Notebooks for re-training machine learning models - PubMed (nih.gov). J Cheminform. 2022 Aug 13;14(1):54. doi: 10.1186/s13321-022-00635-2

225) Garifulina A, Friesacher T, Stadler M, Zangerl-Plessl EM, Ernst M, Stary-Weinzinger A, Willam A, Hering S.; β subunits of GABA A receptors form proton-gated chloride channels: Insights into the molecular basis - PubMed (nih.gov) Commun Biol. 2022 Aug 3;5(1):784. doi: 10.1038/s42003-022-03720-2. PMID: 35922471. Press release UniVie: Bisher unbekannte Funktion eines altbekannten Rezeptors entdeckt (univie.ac.at)

224) Füzi B, Malik-Sheriff RS, Manners EJ, Hermjakob H, Ecker GF. KNIME workflow for retrieving causal drug and protein interactions, building networks, and performing topological enrichment analysis demonstrated by a DILI case study - PubMed (nih.gov) J Cheminform. 2022 Jun 13;14(1):37. doi: 10.1186/s13321-022-00615-6.

223) Westermayr J, Gastegger M, Vörös D, Panzenboeck L, Joerg F, González L, Marquetand P.; Deep learning study of tyrosine reveals that roaming can lead to photodamage - PubMed (nih.gov) Nat Chem. 2022 Jun 2. doi: 10.1038/s41557-022-00950-z. Online ahead of print.

222) Koniuszewski F, Vogel FD, Bampali K, Fabjan J, Seidel T, Scholze P, Schmiedhofer PB, Langer T, Ernst M.; Frontiers | Molecular Mingling: Multimodal Predictions of Ligand Promiscuity in Pentameric Ligand-Gated Ion Channels | Molecular Biosciences (frontiersin.org)   Front. Mol. Biosci., 09 May 2022 | https://doi.org/10.3389/fmolb.2022.860246

221) Syafni N, Faleschini MT, Garifulina A, Danton O, Gupta MP, Hering S, Hamburger M. Clerodane Diterpenes from Casearia corymbosa as Allosteric GABA_A Receptor Modulators. J Nat Prod. 2022 Apr 27. doi: 10.1021/acs.jnatprod.1c00840. Online ahead of print. PMID: 35475609 Review.

220) Nadja K. Singer, Pedro A. Sánchez-Murcia, Margot Ernst, Leticia González; Unravelling the Turn‐on Fluorescence Mechanism of a Fluorescein‐Based Probe in GABAA Receptors - Singer - - Angewandte Chemie International Edition - Wiley Online Library; accepted 28.04.2022, doi.org/10.1002/anie.202205198

219) Theres Friesacher, Haritha P. Reddy, Harald Bernsteiner, J. Carlo Combista, Boris Shalomov, Amal K. Bera, Eva-Maria Zangerl-Plessl, Nathan Dascal, Anna Weinzinger; A selectivity filter mutation provides insights into gating regulation of a K+ channel | Communications Biology (nature.com), Commun Biol 5, 345 (2022). doi.org/10.1038/s42003-022-03303-1

218) Villa CE, Cheroni C, Dotter CP, López-Tóbon A, Oliveira B, Sacco R, Yahya AÇ, Morandell J, Gabriele M, Tavakoli MR, Lyudchik J, Sommer C, Gabitto M, Danzl JG, Testa G, Novarino G.  CHD8 haploinsufficiency links autism to transient alterations in excitatory and inhibitory trajectories - PubMed (nih.gov) Cell Rep. 2022 Apr 5;39(1):110615. doi: 10.1016/j.celrep.2022.110615.

217) Dyachenko IA, Palikova YA, Palikov VA, Korolkova YV, Kazakov VA, Egorova NS, Garifulina AI, Utkin YN, Tsetlin VI, Kryukova EV. α-Conotoxin RgIA and oligoarginine R8 in the mice model alleviate long-term oxaliplatin induced neuropathy - PubMed (nih.gov) Biochimie. 2022 Mar;194:127-136. doi: 10.1016/j.biochi.2021.12.013. Epub 2022 Jan 1.

216) Vogel FD, Krenn M, Westphal DS, Graf E, Wagner M, Leiz S, Koniuszewski F, Augé-Stock M, Kramer G, Scholze P, Ernst M. A de novo missense variant in GABRA4 alters receptor function in an epileptic and neurodevelopmental phenotype - PubMed (nih.gov); Epilepsia. 2022 Feb 12. doi: 10.1111/epi.17188.

215) Ralph Gradisch, Dániel Szöllösi, Marco Niello, Erika Lazzarin, Harald H. Sitte, Thomas Stockner; Occlusion of the human serotonin transporter is mediated by serotonin-induced conformational changes in the bundle domain. J Biol Chem. 2022 Jan 20;101613.doi: 10.1016/j.jbc.2022.101613.

214) M.J.C. Houtman†, Theres Friesacher†, Xingyu Chen, Eva-Maria Zangerl-Plessl, M.A.G. Van der Heyden, Anna Stary-Weinzinger; Frontiers | Development of IKATP Ion Channel Blockers Targeting Sulfonylurea Resistant Mutant KIR6.2 Based Channels for Treating DEND Syndrome | Pharmacology (frontiersin.org); Front. Pharmacol., 14 January 2022 | https://doi.org/10.3389/fphar.2021.814066

213) Konstantina Bampali, F Koniuszewski, L.L. Silva, S. Rehman, Florian D. Vogel, T. Seidel, P. Scholze, F. Zirpel, A. Garon, Thierry Langer, M. Willeit, Margot Ernst; Tricyclic antipsychotics and antidepressants can inhibit α5-containing GABA A receptors by two distinct mechanisms - PubMed (nih.gov) Br J Pharmacol. 2022 Jan 27. doi: 10.1111/bph.15807.

212) Rodrigues D, Coyle L, Füzi B, Ferreira S, Jo H, Herpers B, Chung SW, Fisher C, Kleinjans JCS, Jennen D, de Kok TM. Unravelling Mechanisms of Doxorubicin-Induced Toxicity in 3D Human Intestinal Organoids - PubMed (nih.gov) Int J Mol Sci. 2022 Jan 24;23(3):1286. doi: 10.3390/ijms23031286.
2021

211) Thomas Linder, Eleni Papaplioura, Diyana Ogurlu, Sophie Geyrhofer, Scarlet Hummelbrunner, Daniel Schachner, Atanas G. Atanasov, Marko D. Mihovilovic, Verena M. Dirsch, Michael Schnürch; Investigation of Leoligin Derivatives as NF-κB Inhibitory Agents; Biomedicines 2021, Dec 28; 10(1):62. doi: 10.3390/biomedicines10010062.

210) Angenoorth TJF, Stankovic S, Niello M, Holy M, Brandt SD, Sitte HH, Maier J.; IInteraction Profiles of Central Nervous System Active Drugs at Human Organic Cation Transporters 1-3 and Human Plasma Membrane Monoamine Transporter - PubMed (nih.gov). Int J Mol Sci. 2021 Nov 30;22(23):12995. doi: 10.3390/ijms222312995.

209) Vasic V, Jones MSO, Haslinger D, Knaus LS, Schmeisser MJ, Novarino G, Chiocchetti AG. Translating the Role of mTOR- and RAS-Associated Signalopathies in Autism Spectrum Disorder: Models, Mechanisms and Treatment - PubMed (nih.gov) Review. Genes (Basel). 2021 Oct 30;12(11):1746. doi: 10.3390/genes12111746.

208) Füzi B, Gurinova J, Hermjakob H, Ecker GF, Sheriff R. Path4Drug: Data Science Workflow for Identification of Tissue-Specific Biological Pathways Modulated by Toxic Drugs - PubMed (nih.gov) Front Pharmacol. 2021 Oct 14;12:708296. doi: 10.3389/fphar.2021.708296. eCollection 2021.

207) Kickinger Stefanie, Lie Maria E. K., Suemasa Akihiro, Al-Khawaja Anas, Fujiwara Koichi, Watanabe Mizuki, Wilhelmsen Kristine S., Falk-Petersen Christina B., Frølund Bente, Shuto Satoshi, Ecker Gerhard F., Wellendorph Petrine; Molecular Determinants and Pharmacological Analysis for a Class of Competitive Non-transported Bicyclic Inhibitors of the Betaine/GABA Transporter BGT1. Front. Chem., 14 September 2021 | https://doi.org/10.3389/fchem.2021.736457

206) Michael Bründl, Sarala Pellikan, Anna Stary-Weinzinger Frontiers | Simulating PIP2-Induced Gating Transitions in Kir6.2 Channels | Molecular Biosciences (frontiersin.org) Front. Mol. Biosci., 10 August 2021 | https://doi.org/10.3389/fmolb.2021.711975

205) Dvorak V, Wiedmer T, Ingles-Prieto A, Altermatt P, Batoulis H, Bärenz F, Bender E, Digles D, Dürrenberger F, Heitman LH, IJzerman AP, Kell DB, Kickinger S, Körzö D, Leippe P, Licher T, Manolova V, Rizzetto R, Sassone F, Scarabottolo L, Schlessinger A, Schneider V, Sijben HJ, Steck AL, Sundström H, Tremolada S, Wilhelm M, Wright Muelas M, Zindel D, Steppan CM, Superti-Furga G; An Overview of Cell-Based Assay Platforms for the Solute Carrier Family of Transporters - PMC (nih.gov) Front Pharmacol. 2021 Aug 10;12:722889. doi: 10.3389/fphar.2021.722889.

204) Schwendenwein, D.; Ressmann, A.K.; Entner, M.; Savic, V.; Winkler, M.; Rudroff, F. Chemo-Enzymatic Cascade for the Generation of Fragrance Aldehydes. Catalysts 2021, 11, 932. doi.org/10.3390/catal11080932

203) Dietler J, Schubert R, Krafft TGA, Meiler S, Kainrath S, Richter F, Schweimer K, Weyand M, Janovjak H, Möglich A. A Light-Oxygen-Voltage Receptor Integrates Light and Temperature - PubMed (nih.gov) J Mol Biol. 2021 Jul 23;433(15):167107. doi: 10.1016/j.jmb.2021.167107. Epub 2021 Jun 17. PMID: 34146595

202) Spieß P, Berger M, Kaiser D, Maulide N. Direct Synthesis of Enamides via Electrophilic Activation of Amides - PubMed (nih.gov) J Am Chem Soc. 2021 Jul 21;143(28):10524-10529. doi: 10.1021/jacs.1c04363. Epub 2021 Jul 7.

201) Bhat S^#, Niello M^#, Schicker K, Pifl C, Sitte HH, Freissmuth M, Sandtner W.; Handling of intracellular K⁺ determines voltage dependence of plasmalemmal monoamine transporter function.
Elife . 2021 Jun 1;10:e67996. doi: 10.7554/eLife.67996. pubmed.ncbi.nlm.nih.gov/34061030/

200) Morandell J, Schwarz LA, Basilico B, Tasciyan S, Dimchev G, Nicolas A, Sommer C, Kreuzinger C, Dotter CP, Knaus LS, Dobler Z, Cacci E, Schur FKM, Danzl JG, Novarino G.; Cul3 regulates cytoskeleton protein homeostasis and cell migration during a critical window of brain development - PubMed (nih.gov).Nat Commun. 2021 May 24;12(1):3058. doi: 10.1038/s41467-021-23123-x.

IST press release: IST Austria | Defective Gene Slows Down Brain Cells

199) Saha Kusumika, Yang Jae-Won, Hofmaier Tina, Venkatesan SanthoshKannan, Steinkellner Thomas, Kudlacek Oliver, Sucic Sonja, Freissmuth Michael, Sitte Harald H.; Frontiers | Constitutive Endocytosis of the Neuronal Glutamate Transporter Excitatory Amino Acid Transporter-3 Requires ARFGAP1 | Physiology (frontiersin.org) Front. Physiol., 10 May 2021 | https://doi.org/10.3389/fphys.2021.671034

198) Ingles-Prieto A, Furthmann N, Crossman SH, Tichy AM, Hoyer N, Petersen M, Zheden V, Biebl J, Reichhart E, Gyoergy A, Siekhaus DE, Soba P, Winklhofer KF, Janovjak H. Optogenetic delivery of trophic signals in a genetic model of Parkinson's disease - PubMed (nih.gov) PLoS Genet. 2021 Apr 15;17(4):e1009479. doi: 10.1371/journal.pgen.1009479. eCollection 2021 Apr. PMID: 33857132

197) Maier J, Rauter L, Rudin D, Niello M, Holy M, Schmid D, Wilson J, Blough BE, Gannon BM, Murnane KS, Sitte HH. α-PPP and its derivatives are selective partial releasers at the human norepinephrine transporter A pharmacological characterization of interactions between pyrrolidinopropiophenones and high and low affinity monoamine transporters - PubMed (nih.gov) Neuropharmacology. 2021 Apr 14:108570. doi: 10.1016/j.neuropharm.2021.108570.

196) Niello Marco, Cintulová Daniela, Raithmayr Philip, Holy Marion, Jäntsch Kathrin, Colas Claire, Ecker Gerhard F., Sitte Harald H., Mihovilovic Marko D.; Effects of Hydroxylated Mephedrone Metabolites on Monoamine Transporter Activity in vitro. Front. Pharmacol., 09 April 2021 | https://doi.org/10.3389/fphar.2021.654061

195) González-Cardenete MA, Rivas F, Basset R, Stadler M, Hering S, Padrón JM, Zaragozá RJ, Dea-Ayuela MA; Biological Profiling of Semisynthetic C19-Functionalized Ferruginol and Sugiol Analogues - PubMed (nih.gov) Antibiotics (Basel). 2021 Feb 12;10(2):184. doi: 10.3390/antibiotics10020184. PMID: 33673350; PMCID: PMC7918733.

194) L. Duart-Castells, N.Nadal-Gratacós, M. Muralter, B. Puster, X. Berzosa, R. Estrada-Tejedor, M. Niello, S. Bhat, D. Pubill, J. Camarasa, H.H.Sitte, E. Escubedo, R. López-Arnau; Role of amino terminal substitutions in the pharmacological, rewarding and psychostimulant profiles of novel synthetic cathinones - PubMed (nih.gov) Neuropharmacology. 2021 Jan 30;186:108475. doi: 10.1016/j.neuropharm.2021.108475
2020

193) V. Savic, F. Eder, C. Göb, MD Mihovilovic, C. Stanetty, B. Stöger; The role of hydrogen bonding in the incommensurate modulation of myo-inositol camphor ketal; Acta Cryst. B77, 83-92; DOI:10.1107/S2052520620015929; https://scripts.iucr.org/cgi-bin/paper?S2052520620015929

192) Xenia Simeone, Filip Koniuszewski, Markus Muellegger, Andreas Smetka, Friederike Steudle, Roshan Puthenkalam, Margot Ernst and Petra Scholze; A Benzodiazepine Ligand with Improved GABAA Receptor α5-Subunit Selectivity Driven by Interactions with Loop C. Mol Pharmacol. 2021 Jan;99(1):39-48. doi: 10.1124/molpharm.120.000067. Epub 2020 Dec 2.

191) Julia Westermayr, Philipp Marquetand; Machine Learning for Electronically Excited States of Molecules - PubMed (nih.gov); Chem Rev. 2020 Nov 19. doi: 10.1021/acs.chemrev.0c00749. PMID: 33211478.

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60) 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. http://www.ncbi.nlm.nih.gov/pubmed/26519222 https://www.ncbi.nlm.nih.gov/pubmed/26519222

59) 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 https://www.thieme-connect.com/products/ejournals/html/10.1055/s-0035-1546165 https://www.ncbi.nlm.nih.gov/pubmed/26132851

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57) 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 www.ncbi.nlm.nih.gov/pubmed/26410663

56) 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 https://www.ncbi.nlm.nih.gov/pubmed/26154082

55) 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. http://www.ncbi.nlm.nih.gov/pubmed/26091146 www.ncbi.nlm.nih.gov/pubmed/26091146

54) 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. https://www.ncbi.nlm.nih.gov/pubmed/26035250

53) 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. https://www.ncbi.nlm.nih.gov/pubmed/25882526

52) 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   https://www.ncbi.nlm.nih.gov/pubmed/26019340

51) 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. https://www.ncbi.nlm.nih.gov/pubmed/25826358

50) 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 >> www.ncbi.nlm.nih.gov/pubmed/25502630

49) 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. https://www.ncbi.nlm.nih.gov/pubmed/25922911

48) 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. https://www.ncbi.nlm.nih.gov/pubmed/25905596

47) 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 https://www.ncbi.nlm.nih.gov/pubmed/25679268

46) 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 https://link.springer.com/chapter/10.1007/7081_2014_138

45) 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. http://www.ncbi.nlm.nih.gov/pubmed/25679268 https://www.ncbi.nlm.nih.gov/pubmed/25679268

44) 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 http://onlinelibrary.wiley.com/doi/10.1002/chem.201500437/pdf https://www.ncbi.nlm.nih.gov/pubmed/25712698

43) 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 https://www.ncbi.nlm.nih.gov/pubmed/25599645

42) H Sitte, SK Venkatesan, A Sohail, K Saha, K Jayaraman, GF. Ecker, M Freissmuth, W Sandtner, T. Transporters in Motion: Combining Computational Approaches and LRET-Measurements. Biophysical Journal 108(2):199a · January 2015. https://doi.org/10.1016/j.bpj.2014.11.1101, http://www.cell.com/biophysj/abstract/S0006-3495 https://www.cell.com/biophysj/fulltext/S0006-3495(14)02310-8

41) Rycek L, Puthenkalam R, Schnürch M, Ernst M, Mihovilovic MD. Metal-assisted synthesis of unsymmetrical magnolol and honokiol analogs and their biological assessment as GABA_A receptor ligands. Bioorg Med Chem Lett. 2015 Jan 15;25(2):400-3. doi: 10.1016/j.bmcl.2014.10.091.   https://www.ncbi.nlm.nih.gov/pubmed/25510374

40) 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. www.ncbi.nlm.nih.gov/pubmed/25608857
2014

39) Wimmer L, Schönbauer D, Pakfeifer P, Schöffmann A, Khom S, Hering S, Mihovilovic MD. Developing piperine towards TRPV1 and GABA_A 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. https://www.ncbi.nlm.nih.gov/pubmed/25438036

38) 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. https://www.ncbi.nlm.nih.gov/pubmed/25383189

37) 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 https://www.ncbi.nlm.nih.gov/pubmed/25127869

36) 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 https://www.ncbi.nlm.nih.gov/pubmed/25093911

35) 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. 2014 Nov 24;54(11):3218-28. doi: 10.1021/ci500353r. Epub 2014 Oct 21. https://www.ncbi.nlm.nih.gov/pubmed/25297379

34) Carta V, Pangerl M, Baur R, Puthenkalam R, Ernst M, Trauner D, Sigel E.; A pentasymmetric open channel blocker for Cys-loop receptor channels - PubMed (nih.gov) PLoS One. 2014 Sep 3;9(9):e106688. doi: 10.1371/journal.pone.0106688.

33) 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 22https://www.ncbi.nlm.nih.gov/pubmed/25148533

32) 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. https://www.ncbi.nlm.nih.gov/pubmed/24947510https://www.ncbi.nlm.nih.gov/pubmed/24947510

31) 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. https://www.ncbi.nlm.nih.gov/pubmed/25079564

30) 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 https://www.ncbi.nlm.nih.gov/pubmed/24963621

29) Middendorp SJ, 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. https://www.ncbi.nlm.nih.gov/pubmed/24960548

28) 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 (GABA_A) Receptors by Piperine Derivatives. J Med Chem. 2014 Jun 6. DOI: 10.1021/jm5002277 https://www.ncbi.nlm.nih.gov/pubmed/24905252

27) 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. https://www.ncbi.nlm.nih.gov/pubmed/24871545

26) 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. http://www.ncbi.nlm.nih.gov/pubmed/24649954 https://www.ncbi.nlm.nih.gov/pubmed/24649954

25) 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):6344-6351. doi: 10.1523/JNEUROSCI.2991-13.2014. https://www.ncbi.nlm.nih.gov/pubmed/24790205

24) 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. https://www.ncbi.nlm.nih.gov/pubmed/24680924

23) 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. https://www.ncbi.nlm.nih.gov/pubmed/24462176

22) 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. https://www.ncbi.nlm.nih.gov/pubmed/23873350

21) 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. https://www.ncbi.nlm.nih.gov/pubmed/24307198
2013

20) 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. https://www.ncbi.nlm.nih.gov/pubmed/24337461

19) 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. https://www.ncbi.nlm.nih.gov/pubmed/23707769

18) Mirheydari P, Ramerstorfer J, Varagic Z, Scholze P, Wimmer L, Mihovilovic M, Sieghart W, Ernst M.; Unexpected Properties of δ-Containing GABA_A Receptors in Response to Ligands Interacting with the α+ β- Site. Neurochem Res. 2013 Sep 26. https://www.ncbi.nlm.nih.gov/pubmed/24072672

17) 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 https://www.ncbi.nlm.nih.gov/pubmed/24296074

16) 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. https://www.ncbi.nlm.nih.gov/pubmed/24287719

15) 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. r https://www.ncbi.nlm.nih.gov/pubmed/23798435

14) 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. https://www.ncbi.nlm.nih.gov/pubmed/23956802

13) 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. https://www.ncbi.nlm.nih.gov/pubmed/23956804

12) 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. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3743161/

11) 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. https://www.ncbi.nlm.nih.gov/pubmed/23658510

10) 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 GABA_A receptor α+β- interface. Br J Pharmacol. 2013 May;169(2):371-83. doi: 10.1111/bph.12151. https://www.ncbi.nlm.nih.gov/pubmed/23472852

9) Khom S, Strommer B, Schöffmann A, Hintersteiner J, , Baburin I, Erker T, Schwarz T, Schwarzer C, Zaugg J, Hamburger M, Hering S; GABA_A 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. https://www.ncbi.nlm.nih.gov/pubmed/23623790

8) 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. https://www.ncbi.nlm.nih.gov/pubmed/23625347

7) 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 https://www.ncbi.nlm.nih.gov/pubmed/23586323

6) 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. https://www.ncbi.nlm.nih.gov/pubmed/23261433
2012

5) 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. https://www.ncbi.nlm.nih.gov/pubmed/2294133

4) 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. PubMed PMID: 22778257. https://www.ncbi.nlm.nih.gov/pubmed/22778257

3) Bulling S, Schicker K, Zhang YW, Steinkellner T, Stockner T, Gruber CW, Boehm S, Freissmuth M, Rudnick G, Sitte HH, Sandtner W. et al. The Mechanistic Basis for Noncompetitive Ibogaine Inhibition of Serotonin and Dopamine Transporters. J Biol Chem. 2012May 25;287(22):18524-34. https://www.ncbi.nlm.nih.gov/pubmed/22451652
2011

2) Depil K., Beyl S, Stary-Weinzinger A, Hohaus A, Timin E, Hering S.; Timothy Mutation Disrupts the Link Between Activation and Inactivaiton in Ca(V)1.2 Protein. J Biol Chem. 2011 Sep 9;286(36):31557-64. Epub 2011 Jun 17. https://www.ncbi.nlm.nih.gov/pubmed/21685391

1) Kirsten Knape, Tobias Linder, Peter Wolschann, Anton Beyer, Anna Stary-Weinzinger;In Silico Analysis of Conformational Changes Induced by Mutation of Aromatic Binding Residues: Consequences for Drug Binding in the hERG K⁺ Channel. PLoS ONE 6(12): e28778. https://www.ncbi.nlm.nih.gov/pubmed/22194911