Disciplines
Biology (10%); Medical-Theoretical Sciences, Pharmacy (90%)
Keywords
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Drug targets,
Pharmacoinformatics,
GABAA receptor,
Transporters,
Ion channels,
Transgenic animals
Discovery and development of new drugs is driven by the increasing application of molecular pharmacology (mutational analysis), molecular modeling and methods to elucidate drug interactions with 3D structures of proteins. Model organisms (e.g. "knock in" or transgenic mice) are of key importance for identification of drug targets and their validation. Technological platforms that range from molecular and cell biology, chemistry to model organisms are applied in parallel and data retrieved provide the basis for predictive in silico models. Research in the field of drug discovery and development thus requires a broad knowledge of biological, pharmaceutical and medical issues, biophysics, genetics, chemistry, and computer technologies. The Doctoral Program (DP) Molecular Drug Targets (MolTag) brings together 9 groups from the University of Vienna, the Medical University Vienna, the University of Veterinary Medicine Vienna and the Vienna University of Technology to provide a platform for supporting PhD projects on an integrated drug discovery approach. The consortium is interested in the basic mechanisms by which ion channels and transporters are modulated by drugs or natural products. Within the DP we will exploit the different methods and expertise present in the consortium, which include electrophysiological techniques, methods of pharmacoinformatics, generation of animal models, chemical synthesis of natural products and chemical compound libraries, mutational analysis, biophysics and mathematical modeling. Special attention will also be drawn to off-pharmacology, such as the hERG potassium channel. Besides the daily interaction between the supervisor and the PhD students the teaching and training concept comprises also a lab rotation at the beginning of the thesis, a journal club, a MolTag seminar, and an annual scientific retreat organized by the students. Appointment of a co-supervisor, development of a personal career plan for the students, a series of enabling skills seminars and establishment of a scientific advisory board will guarantee a high quality of supervision. Last but not least students are encouraged to spend 3-6 months at a research group abroad.
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consortium member (01.03.2011 - 29.02.2024)
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consortium member (01.03.2011 - 29.02.2024)
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Harald Sitteconsortium member (01.03.2011 - 29.02.2024)
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consortium member (01.03.2011 - 29.02.2024)
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consortium member (01.03.2011 - 29.02.2024)
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consortium member (01.03.2011 - 29.02.2024)
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consortium member (01.03.2011 - 29.02.2024)
- Institute of Science and Technology Austria - ISTA
- Universität Wien
- Medizinische Universität Wien
- Technische Universität Wien
- Universität Wien
- Gaia Novarino, Institute of Science and Technology Austria - ISTA , associated research partner
- Marko D. Mihovilovic, Technische Universität Wien , associated research partner
- Margot Ernst, Medizinische Universität Wien , associated research partner
- Troels Skrydstrup, Aarhus University - Denmark
- Uwe T. Bornscheuer, Universität Greifswald - Germany
- Thorsten Bach, Technische Universität München - Germany
- Walter Thiel, Max-Planck-Gesellschaft - Germany
- Manfred T. Reetz, Max-Planck-Gesellschaft - Germany
- Gerhard Wolber, Freie Universität Berlin - Germany
- Wolfgang Sippl, Martin-Luther-Universität Halle-Wittenberg - Germany
- Martin Hrabe De Angelis, Helmholtz Zentrum München - Germany
- Berend L. De Groot, Max-Planck-Gesellschaft - Germany
- György Panyi, University of Debrecen - Hungary
- Andras Malnasi-Csizmadia, Eötvös University - Hungary
- Antimo Gioiello, University of Perugia - Italy
- Gabriela Costantino, University of Parma - Italy
- Maurizio Recanatini, University of Bologna - Italy
- Maurizio Botta, Universita degli Studi di Siena - Italy
- Marc A. Vos, University Medical Center Utrecht - Netherlands
- Nico Vermeulen, Vrije Universiteit Amsterdam - Netherlands
- Luis F. Veiros, University of Lisbon - Portugal
- Lubica Lacinova, Slovak Academy of Sciences - Slovakia
- Ferran Sanz, Universitat Pompeu Fabra - Spain
- Johannes Wilbertz, Karolinska Institutet - Sweden
- Jerome Waser, École polytechnique fédérale de Lausanne - Switzerland
- Steffen Hamburger, Universität Basel - Switzerland
- Matthias Hamburger, Universität Basel - Switzerland
- Erwin Sigel, University of Bern - Switzerland
- Supot Hannongbua, Chulalongkorn University - Thailand
- Supa Hannongbua, Kasetsart University - Thailand
- Harry A. Fozzard, University of Chicago - USA
- Samuel C. Dudley, University of Minnesota - USA
- Jon D. Stewart, University of Florida - USA
- Avner Schlessinger, Icahn School of Medicine at Mount Sinai - USA
- Michael C. Sanguinetti, University of Utah - USA
- Gregory M. Lipkind, University of Chicago - USA
- Dirk Trauner, University of Pennsylvania - USA
- Francisco Bezanilla, University of Chicago - USA
- Andrew Jenkins, Emory University - USA
- Kendall N. Houk, University of California at Los Angeles - USA
- Francesco Tombola, University of California at Irvine - USA
- Ehud Isacoff, University of California Berkeley - USA
- Robert S. Eisenberg, Rush University Medical Center - USA
- Gregory Hockerman, Purdue University - USA
- Michael F. Sheets, University of Utah - USA
- Katherine A. Kantardjieff, California State University San Marcos - USA
- Dorothy A. Hanck, University of Chicago - USA
- James M. Cook, University of Wisconsin-Milwaukee - USA
- Ulrich Zachariae, University of Dundee
Research Output
- 8209 Citations
- 328 Publications
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2023
Title Overlapping and Distinct Features of Cardiac Pathology in Inherited Human and Murine Ether Lipid Deficiency DOI 10.3390/ijms24031884 Type Journal Article Author Dorninger F Journal International Journal of Molecular Sciences Pages 1884 Link Publication -
2023
Title Editorial: Old and new psychoactive substances: Pharmacology and potential applications DOI 10.3389/fpsyt.2022.1087005 Type Journal Article Author Mayer F Journal Frontiers in Psychiatry Pages 1087005 Link Publication -
2023
Title GABAA receptor-mediated seizure liabilities: a mixed-methods screening approach DOI 10.1007/s10565-023-09803-y Type Journal Article Author Bampali K Journal Cell Biology and Toxicology Pages 2793-2819 Link Publication -
2022
Title CHD8 haploinsufficiency links autism to transient alterations in excitatory and inhibitory trajectories DOI 10.1016/j.celrep.2022.110615 Type Journal Article Author Villa C Journal Cell Reports Pages 110615 Link Publication -
2022
Title Occlusion of the human serotonin transporter is mediated by serotonin-induced conformational changes in the bundle domain DOI 10.1016/j.jbc.2022.101613 Type Journal Article Author Gradisch R Journal Journal of Biological Chemistry Pages 101613 Link Publication -
2023
Title New Strategies for the Functionalization of Carbonyl Derivatives via a-Umpolung: From Enolates to Enolonium Ions DOI 10.1021/acs.accounts.3c00171 Type Journal Article Author Spieß P Journal Accounts of Chemical Research Pages 1634-1644 Link Publication -
2024
Title Bioisosteric analogs of MDMA: Improving the pharmacological profile? DOI 10.1111/jnc.16149 Type Journal Article Author Alberto-Silva A Journal Journal of Neurochemistry Pages 2022-2042 Link Publication -
2024
Title In silico models of the macromolecular NaV1.5-KIR2.1 complex DOI 10.3389/fphys.2024.1362964 Type Journal Article Author Stary-Weinzinger A Journal Frontiers in Physiology Pages 1362964 Link Publication -
2024
Title Super-resolution expansion microscopy in plant roots DOI 10.1101/2024.02.21.581330 Type Preprint Author Gallei M Pages 2024.02.21.581330 Link Publication -
2024
Title De novo variants in GABRA4 are associated with a neurological phenotype including developmental delay, behavioral abnormalities and epilepsy DOI 10.1038/s41431-024-01600-3 Type Journal Article Author Sajan S Journal European Journal of Human Genetics Pages 912-919 Link Publication -
2024
Title PyrAtes: Modular Organic Salts with Large Stokes Shifts for Fluo-rescence Microscopy DOI 10.1002/anie.202318127 Type Journal Article Author Saridakis I Journal Angewandte Chemie International Edition Link Publication -
2024
Title Ethosuximide: subunit- and Gß?-dependent blocker and reporter of allosteric changes in GIRK channels DOI 10.1101/2024.06.04.597296 Type Preprint Author Shalomov B Pages 2024.06.04.597296 Link Publication -
2024
Title PyrAt-Verbindungen: Modulare organische Salze mit großen Stokes-Verschiebungen für die Fluoreszenzmikroskopie DOI 10.1002/ange.202318127 Type Journal Article Author Saridakis I Journal Angewandte Chemie Link Publication -
2024
Title Bioisosteric analogs of MDMA with improved pharmacological profile DOI 10.1101/2024.04.08.588083 Type Preprint Author Alberto-Silva A Pages 2024.04.08.588083 Link Publication -
2024
Title Bioactivity descriptors for in vivo toxicity prediction: now and the future DOI 10.1080/17425255.2024.2334308 Type Journal Article Author Helmke P Journal Expert Opinion on Drug Metabolism & Toxicology Pages 541-543 Link Publication -
2024
Title Human hippocampal CA3 uses specific functional connectivity rules for efficient associative memory DOI 10.1101/2024.05.02.592169 Type Preprint Author Watson J Pages 2024.05.02.592169 Link Publication -
2024
Title ProteoMutaMetrics: machine learning approaches for solute carrier family 6 mutation pathogenicity prediction DOI 10.1039/d4ra00748d Type Journal Article Author Huang J Journal RSC Advances Pages 13083-13094 Link Publication -
2025
Title Prolintane analogs as hybrid monoamine transporter ligands: Structural determinants and species differences DOI 10.1016/j.jbc.2025.110903 Type Journal Article Author Kastner N Journal Journal of Biological Chemistry Pages 110903 Link Publication -
2025
Title Next-Generation MDMA Analogue SDMA: Pharmacological and Metabolic Insights DOI 10.1021/acschemneuro.5c00782 Type Journal Article Author Kastner N Journal ACS Chemical Neuroscience Pages 4725-4740 Link Publication -
2024
Title Proteochemometric modeling strengthens the role of Q299 for GABA transporter subtype selectivity DOI 10.1101/2024.08.13.607728 Type Preprint Author Kickinger S Pages 2024.08.13.607728 Link Publication -
2024
Title Ligand coupling mechanism of the human serotonin transporter differentiates substrates from inhibitors DOI 10.1038/s41467-023-44637-6 Type Journal Article Author Gradisch R Journal Nature Communications Pages 417 Link Publication -
2024
Title Photoisomerization Dynamics of Azo-Escitalopram Using Surface Hopping and a Semiempirical Method DOI 10.1021/acs.jpcb.4c06924 Type Journal Article Author Gallmetzer H Journal The Journal of Physical Chemistry B Pages 385-397 Link Publication -
2024
Title Probes for the heterogeneity of muscimol binding sites in rat brain DOI 10.3389/fphar.2024.1368527 Type Journal Article Author Müller V Journal Frontiers in Pharmacology Pages 1368527 Link Publication -
2024
Title Human hippocampal CA3 uses specific functional connectivity rules for efficient associative memory DOI 10.1016/j.cell.2024.11.022 Type Journal Article Author Watson J Journal Cell Link Publication -
2024
Title Reaction blueprints and logical control flow for parallelized chiral synthesis in the Chemputer DOI 10.1038/s41467-024-54238-6 Type Journal Article Author Šiauciulis M Journal Nature Communications Pages 10261 Link Publication -
2023
Title Dense 4D nanoscale reconstruction of living brain tissue DOI 10.1038/s41592-023-01936-6 Type Journal Article Author Velicky P Journal Nature Methods Pages 1256-1265 Link Publication -
2025
Title PIP2-driven cytoplasmic domain motions are coupled to Kir2 channel gating DOI 10.1085/jgp.202513864 Type Journal Article Author Zangerl-Plessl E Journal Journal of General Physiology -
2025
Title Synthesis of Sterically Congested Carbonyl Compounds via an ipso-Selective Sulfonium Rearrangement DOI 10.1021/jacs.5c13777 Type Journal Article Author Klose I Journal Journal of the American Chemical Society Pages 37899-37906 Link Publication -
2025
Title Live-cell quantitative monitoring reveals distinct, high-affinity Gß? regulations of GIRK2 and GIRK1/2 channels DOI 10.1101/2025.10.15.682510 Type Preprint Author Handklo-Jamal R Pages 2025.10.15.682510 Link Publication -
2025
Title Neurotransmitter Transporters—Unraveling Molecular Mechanisms and Therapeutic Opportunities DOI 10.1111/jnc.70240 Type Journal Article Author Sitte H Journal Journal of Neurochemistry Link Publication -
2025
Title Nezavist (DCUK-OEt) and aminoquinoline analogues interact with the etomidate site and display a complex mode of modulatory action of the GABAA receptor DOI 10.1016/j.ejphar.2025.178464 Type Journal Article Author Simeone X Journal European Journal of Pharmacology Pages 178464 -
2025
Title Investigating the bioorthogonality of isocyanides DOI 10.1039/d5cc04136h Type Journal Article Author Nakao R Journal Chemical Communications -
2025
Title Live-cell quantitative monitoring reveals distinct, high-affinity Gß? regulations of GIRK2 and GIRK1/2 channels DOI 10.1038/s41467-025-66730-8 Type Journal Article Author Handklo-Jamal R Journal Nature Communications Pages 11607 Link Publication -
2025
Title Careful Examination of a Novel Azobenzene Paroxetine Derivative and Its Interactions With Biogenic Amine Transporters DOI 10.1111/jnc.70068 Type Journal Article Author Dreier D Journal Journal of Neurochemistry Link Publication -
2025
Title Excited-state nonadiabatic dynamics in explicit solvent using machine learned interatomic potentials DOI 10.1039/d5dd00044k Type Journal Article Author Tiefenbacher M Journal Digital Discovery Pages 1478-1491 Link Publication -
2025
Title Image-based 3D active sample stabilization on the nanometer scale for optical microscopy DOI 10.1016/j.bpr.2025.100211 Type Journal Article Author Vorlaufer J Journal Biophysical Reports Pages 100211 Link Publication -
2025
Title Light-microscopy-based connectomic reconstruction of mammalian brain tissue DOI 10.1038/s41586-025-08985-1 Type Journal Article Author Tavakoli M Journal Nature Pages 398-410 Link Publication -
2025
Title A F420-dependent Single Domain Chemogenetic Tool for Protein De-dimerization DOI 10.1016/j.jmb.2025.169184 Type Journal Article Author Antoney J Journal Journal of Molecular Biology Pages 169184 Link Publication -
2025
Title Data Exploration for Target Predictions Using Proprietary and Publicly Available Data Sets DOI 10.1021/acs.chemrestox.4c00347 Type Journal Article Author Smajic´ A Journal Chemical Research in Toxicology Pages 820-833 Link Publication -
2025
Title Ethosuximide: Subunit- and Gß?-dependent blocker and reporter of allosteric changes in GIRK channels DOI 10.1111/bph.17446 Type Journal Article Author Shalomov B Journal British Journal of Pharmacology Pages 1704-1718 Link Publication -
2025
Title Image-based 3D active sample stabilization on the nanometer scale for optical microscopy DOI 10.1101/2025.01.10.629211 Type Preprint Author Vorlaufer J Pages 2025.01.10.629211 Link Publication -
2025
Title Super-resolution expansion microscopy in plant roots DOI 10.1093/plcell/koaf006 Type Journal Article Author Gallei M Journal The Plant Cell Link Publication -
2025
Title Mutation hot spots for clinical pathogenicity across the SLC6 transporter family DOI 10.1101/2025.01.24.634481 Type Preprint Author Huang J Pages 2025.01.24.634481 Link Publication -
2025
Title Fluorescent PyrAte-( S )-citalopram conjugates enable imaging of the serotonin transporter in living tissue DOI 10.1039/d4sc06949h Type Journal Article Author Belleza O Journal Chemical Science Pages 6003-6013 Link Publication -
2025
Title Mechanistic Insight into para-Substituent Control of Thermal Half-Lives in Arylazopyrazole Photoswitches DOI 10.26434/chemrxiv-2025-3b6h4 Type Preprint Author Schlögl K Link Publication -
2025
Title PharmAverse: An Interactive Dashboard Using MedDRA Hierarchy DOI 10.1101/2025.06.17.660110 Type Preprint Author Omran A Pages 2025.06.17.660110 Link Publication -
2023
Title Imaging brain tissue architecture across millimeter to nanometer scales DOI 10.1038/s41587-023-01911-8 Type Journal Article Author Michalska J Journal Nature Biotechnology Pages 1051-1064 Link Publication -
2023
Title Mephedrone induces partial release at human dopamine transporters but full release at human serotonin transporters DOI 10.1016/j.neuropharm.2023.109704 Type Journal Article Author Mayer F Journal Neuropharmacology Pages 109704 Link Publication -
2023
Title Singlet and Triplet Pathways Determine the Thermal Z/E Isomerization of an Arylazopyrazole-Based Photoswitch DOI 10.1021/acs.jpclett.3c01785 Type Journal Article Author Singer N Journal The Journal of Physical Chemistry Letters Pages 8956-8961 Link Publication -
2023
Title Molecular Photoswitches Regulating the Activity of the Human Serotonin Transporter DOI 10.1101/2023.09.20.558680 Type Preprint Author Singer N Pages 2023.09.20.558680 Link Publication -
2023
Title Subunit gating resulting from individual protonation events in Kir2 channels DOI 10.1038/s41467-023-40058-7 Type Journal Article Author Maksaev G Journal Nature Communications Pages 4538 Link Publication -
2023
Title Multi-chamber cardioids unravel human heart development and cardiac defects DOI 10.1016/j.cell.2023.10.030 Type Journal Article Author Schmidt C Journal Cell Link Publication -
2023
Title Molecular Photoswitches Regulating the Activity of the Human Serotonin Transporter DOI 10.1021/acs.jpclett.3c02655 Type Journal Article Author Singer N Journal The Journal of Physical Chemistry Letters Pages 10333-10339 -
2023
Title Nanoimprinted Hierarchical Micro-/Nanostructured Substrates for the Growth of Cardiomyocyte Fibers DOI 10.3390/nanomanufacturing3040026 Type Journal Article Author Mühlberger M Journal Nanomanufacturing Pages 416-433 Link Publication -
2023
Title Ni-Catalyzed Stereoconvergent Reductive Dimerization of Bromocyclobutenes DOI 10.1021/acs.orglett.3c03909 Type Journal Article Author Spieß P Journal Organic Letters Pages 355-359 Link Publication -
2023
Title A neolignan from Connarus tuberosus as an allosteric GABAA receptor modulator at the neurosteroid binding site DOI 10.1016/j.biopha.2023.114498 Type Journal Article Author Faleschini T Journal Biomedicine & Pharmacotherapy Pages 114498 Link Publication -
2023
Title Subunit gating resulting from individual protonation events in Kir2 channels DOI 10.21203/rs.3.rs-2640647/v1 Type Preprint Author Maksaev G Link Publication -
2023
Title Binding of RPR260243 at the intracellular side of the hERG1 channel pore domain slows closure of the helix bundle crossing gate DOI 10.3389/fmolb.2023.1137368 Type Journal Article Author Zangerl-Plessl E Journal Frontiers in Molecular Biosciences Pages 1137368 Link Publication -
2023
Title Nonadiabatic Forward Flux Sampling for Excited-State Rare Events DOI 10.1021/acs.jctc.2c01088 Type Journal Article Author Reiner M Journal Journal of Chemical Theory and Computation Pages 1657-1671 Link Publication -
2023
Title Toxicity prediction using target, interactome, and pathway profiles as descriptors DOI 10.1016/j.toxlet.2023.04.005 Type Journal Article Author Füzi B Journal Toxicology Letters Pages 20-26 Link Publication -
2023
Title Novel pyrazolothienopyridinones as potential GABAA receptor modulators DOI 10.1007/s00706-023-03063-6 Type Journal Article Author Vega Alanis B Journal Monatshefte für Chemie - Chemical Monthly Pages 1427-1439 Link Publication -
2023
Title Large neutral amino acid levels tune perinatal neuronal excitability and survival DOI 10.1016/j.cell.2023.02.037 Type Journal Article Author Knaus L Journal Cell Link Publication -
2023
Title A Structure-Based View on ABC-Transporter Linked to Multidrug Resistance DOI 10.3390/molecules28020495 Type Journal Article Author Huang J Journal Molecules Pages 495 Link Publication -
2023
Title Navigating the complex landscape of benzodiazepine- and Z-drug diversity: insights from comprehensive FDA adverse event reporting system analysis and beyond DOI 10.3389/fpsyt.2023.1188101 Type Journal Article Author Koniuszewski F Journal Frontiers in Psychiatry Pages 1188101 Link Publication -
2023
Title Assessing network-based methods in the context of system toxicology DOI 10.3389/fphar.2023.1225697 Type Journal Article Author Valls-Margarit J Journal Frontiers in Pharmacology Pages 1225697 Link Publication -
2023
Title Assay for evaluation of proarrhythmic effects of herbal products: Case study with 12 Evodia preparations DOI 10.1016/j.toxrep.2023.04.014 Type Journal Article Author Baltov B Journal Toxicology Reports Pages 589-599 Link Publication -
2021
Title Direct Synthesis of Enamides via Electrophilic Activation of Amides DOI 10.1021/jacs.1c04363 Type Journal Article Author Spieß P Journal Journal of the American Chemical Society Pages 10524-10529 Link Publication -
2021
Title A Light-Oxygen-Voltage Receptor Integrates Light and Temperature DOI 10.1016/j.jmb.2021.167107 Type Journal Article Author Dietler J Journal Journal of Molecular Biology Pages 167107 -
2021
Title It takes two—or more—to tango: Revisiting the role of dopamine transporter oligomerization DOI 10.1016/j.jbc.2021.100629 Type Journal Article Author Gether U Journal Journal of Biological Chemistry Pages 100629 Link Publication -
2021
Title Biological Profiling of Semisynthetic C19-Functionalized Ferruginol and Sugiol Analogues DOI 10.3390/antibiotics10020184 Type Journal Article Author González-Cardenete M Journal Antibiotics Pages 184 Link Publication -
2021
Title Optogenetic delivery of trophic signals in a genetic model of Parkinson’s disease DOI 10.1371/journal.pgen.1009479 Type Journal Article Author Ingles-Prieto A Journal PLOS Genetics Link Publication -
2021
Title Effects of Hydroxylated Mephedrone Metabolites on Monoamine Transporter Activity in vitro DOI 10.3389/fphar.2021.654061 Type Journal Article Author Niello M Journal Frontiers in Pharmacology Pages 654061 Link Publication -
2021
Title Positive modulation of cerebellar a6GABAA receptors for treating essential tremor: a proof-of-concept study in harmaline-treated mice DOI 10.1101/2021.04.19.440397 Type Preprint Author Huang Y Pages 2021.04.19.440397 Link Publication -
2021
Title Investigation of Leoligin Derivatives as NF-?? Inhibitory Agents DOI 10.3390/biomedicines10010062 Type Journal Article Author Linder T Journal Biomedicines Pages 62 Link Publication -
2021
Title Translating the Role of mTOR- and RAS-Associated Signalopathies in Autism Spectrum Disorder: Models, Mechanisms and Treatment DOI 10.3390/genes12111746 Type Journal Article Author Vasic V Journal Genes Pages 1746 Link Publication -
2021
Title Molecular Determinants and Pharmacological Analysis for a Class of Competitive Non-transported Bicyclic Inhibitors of the Betaine/GABA Transporter BGT1 DOI 10.3389/fchem.2021.736457 Type Journal Article Author Kickinger S Journal Frontiers in Chemistry Pages 736457 Link Publication -
2021
Title Roaming leads to amino acid photodamage: A deep learning study of tyrosine DOI 10.48550/arxiv.2108.04373 Type Preprint Author Westermayr J -
2021
Title An Overview of Cell-Based Assay Platforms for the Solute Carrier Family of Transporters DOI 10.3389/fphar.2021.722889 Type Journal Article Author Dvorak V Journal Frontiers in Pharmacology Pages 722889 Link Publication -
2021
Title Simulating PIP2-Induced Gating Transitions in Kir6.2 Channels DOI 10.3389/fmolb.2021.711975 Type Journal Article Author Bründl M Journal Frontiers in Molecular Biosciences Pages 711975 Link Publication -
2021
Title Path4Drug: Data Science Workflow for Identification of Tissue-Specific Biological Pathways Modulated by Toxic Drugs DOI 10.3389/fphar.2021.708296 Type Journal Article Author Füzi B Journal Frontiers in Pharmacology Pages 708296 Link Publication -
2021
Title Role of amino terminal substitutions in the pharmacological, rewarding and psychostimulant profiles of novel synthetic cathinones DOI 10.1016/j.neuropharm.2021.108475 Type Journal Article Author Duart-Castells L Journal Neuropharmacology Pages 108475 Link Publication -
2021
Title The role of hydrogen bonding in the incommensurate modulation of myo-inositol camphor ketal DOI 10.1107/s2052520620015929 Type Journal Article Author Savic V Journal Acta Crystallographica Section B Pages 83-92 Link Publication -
2021
Title Constitutive Endocytosis of the Neuronal Glutamate Transporter Excitatory Amino Acid Transporter-3 Requires ARFGAP1 DOI 10.3389/fphys.2021.671034 Type Journal Article Author Saha K Journal Frontiers in Physiology Pages 671034 Link Publication -
2021
Title a-PPP and its derivatives are selective partial releasers at the human norepinephrine transporter A pharmacological characterization of interactions between pyrrolidinopropiophenones and uptake1 and uptake2 monoamine transporters DOI 10.1016/j.neuropharm.2021.108570 Type Journal Article Author Maier J Journal Neuropharmacology Pages 108570 Link Publication -
2021
Title Handling of intracellular K+ determines voltage dependence of plasmalemmal monoamine transporter function DOI 10.7554/elife.67996 Type Journal Article Author Bhat S Journal eLife Link Publication -
2021
Title Cul3 regulates cytoskeleton protein homeostasis and cell migration during a critical window of brain development DOI 10.1038/s41467-021-23123-x Type Journal Article Author Morandell J Journal Nature Communications Pages 3058 Link Publication -
2021
Title Simulating PIP2-induced gating transitions in Kir6.2 channels DOI 10.1101/2021.05.20.445012 Type Preprint Author Bründl M Pages 2021.05.20.445012 Link Publication -
2021
Title Chemo-Enzymatic Cascade for the Generation of Fragrance Aldehydes DOI 10.3390/catal11080932 Type Journal Article Author Schwendenwein D Journal Catalysts Pages 932 Link Publication -
2022
Title Serotonin-releasing agents with reduced off-target effects DOI 10.21203/rs.3.rs-1886596/v1 Type Preprint Author Mayer F Link Publication -
2022
Title Structural basis of organic cation transporter-3 inhibition DOI 10.1038/s41467-022-34284-8 Type Journal Article Author Khanppnavar B Journal Nature Communications Pages 6714 Link Publication -
2022
Title Serotonin-releasing agents with reduced off-target effects DOI 10.1038/s41380-022-01843-w Type Journal Article Author Mayer F Journal Molecular Psychiatry Pages 722-732 Link Publication -
2022
Title Novel alpha6 preferring GABA-A receptor ligands based on loreclezole DOI 10.1016/j.ejmech.2022.114780 Type Journal Article Author Simeone X Journal European Journal of Medicinal Chemistry Pages 114780 -
2022
Title Deep learning study of tyrosine reveals that roaming can lead to photodamage DOI 10.1038/s41557-022-00950-z Type Journal Article Author Westermayr J Journal Nature Chemistry Pages 914-919 Link Publication -
2020
Title Image Based Liver Toxicity Prediction DOI 10.1021/acs.jcim.9b00713 Type Journal Article Author Asilar E Journal Journal of Chemical Information and Modeling Pages 1111-1121 Link Publication -
2020
Title A novel de novo variant of GABRA1 causes increased sensitivity for GABA in vitro DOI 10.1038/s41598-020-59323-6 Type Journal Article Author Steudle F Journal Scientific Reports Pages 2379 Link Publication -
2020
Title Design and Synthesis of a Compound Library Exploiting 5-Methoxyleoligin as Potential Cholesterol Efflux Promoter DOI 10.3390/molecules25030662 Type Journal Article Author Linder T Journal Molecules Pages 662 Link Publication -
2020
Title Allosteric GABAA Receptor Modulators—A Review on the Most Recent Heterocyclic Chemotypes and Their Synthetic Accessibility † DOI 10.3390/molecules25040999 Type Journal Article Author Alanis B Journal Molecules Pages 999 Link Publication -
2020
Title In silico toxicology: From structure–activity relationships towards deep learning and adverse outcome pathways DOI 10.1002/wcms.1475 Type Journal Article Author Hemmerich J Journal Wiley Interdisciplinary Reviews: Computational Molecular Science Link Publication -
2020
Title Gold-Catalyzed Cycloisomerization of Sulfur Ylides to Dihydrobenzothiepines DOI 10.1002/chem.202000622 Type Journal Article Author Knittl-Frank C Journal Chemistry – A European Journal Pages 10972-10975 Link Publication -
2020
Title COVER: conformational oversampling as data augmentation for molecules DOI 10.1186/s13321-020-00420-z Type Journal Article Author Hemmerich J Journal Journal of Cheminformatics Pages 18 Link Publication -
2020
Title Using Machine Learning Methods and Structural Alerts for Prediction of Mitochondrial Toxicity DOI 10.1002/minf.202000005 Type Journal Article Author Hemmerich J Journal Molecular Informatics Pages 2000005 Link Publication -
2020
Title GABAA Receptor Ligands Often Interact with Binding Sites in the Transmembrane Domain and in the Extracellular Domain—Can the Promiscuity Code Be Cracked? DOI 10.3390/ijms21010334 Type Journal Article Author Iorio M Journal International Journal of Molecular Sciences Pages 334 Link Publication -
2020
Title Propafenone analogue with additional H-bond acceptor group shows increased inhibitory activity on P-glycoprotein DOI 10.1002/ardp.201900269 Type Journal Article Author Cseke A Journal Archiv der Pharmazie Link Publication -
2020
Title Solving the trade-off by differences in handling of intracellular K+: why substrate translocation by the dopamine transporter but not by the serotonin transporter is voltage-dependent DOI 10.1101/2020.07.09.196642 Type Preprint Author Bhat S Pages 2020.07.09.196642 -
2020
Title Design and Application of Light-Regulated Receptor Tyrosine Kinases DOI 10.1007/978-1-0716-0755-8_16 Type Book Chapter Author Kainrath S Publisher Springer Nature Pages 233-246 -
2020
Title An a-Cyclopropanation of Carbonyl Derivatives by Oxidative Umpolung DOI 10.1002/anie.202007439 Type Journal Article Author Bauer A Journal Angewandte Chemie International Edition Pages 18208-18212 Link Publication -
2022
Title Molecular Mingling: Multimodal Predictions of Ligand Promiscuity in Pentameric Ligand-Gated Ion Channels DOI 10.3389/fmolb.2022.860246 Type Journal Article Author Koniuszewski F Journal Frontiers in Molecular Biosciences Pages 860246 Link Publication -
2022
Title Taming Keteniminium Reactivity by Steering Reaction Pathways: Computational Predictions and Experimental Validations DOI 10.1021/jacs.2c09146 Type Journal Article Author Maskeri M Journal Journal of the American Chemical Society Pages 23358-23367 Link Publication -
2022
Title A F420-dependent single domain chemogenetic tool for protein de-dimerization DOI 10.1101/2022.11.07.515376 Type Preprint Author Antoney J Pages 2022.11.07.515376 Link Publication -
2022
Title Cys-loop receptors on cannabinoids: All high? DOI 10.3389/fphys.2022.1044575 Type Journal Article Author Schmiedhofer P Journal Frontiers in Physiology Pages 1044575 Link Publication -
2022
Title Novel synthetic procedures for C2 substituted imidazoquinolines as ligands for the a/ß-interface of the GABAA-receptor DOI 10.1007/s00706-022-02988-8 Type Journal Article Author Draskovits M Journal Monatshefte für Chemie - Chemical Monthly Pages 1391-1404 Link Publication -
2022
Title Apo2ph4: A Versatile Workflow for the Generation of Receptor-based Pharmacophore Models for Virtual Screening DOI 10.1021/acs.jcim.2c00814 Type Journal Article Author Heider J Journal Journal of Chemical Information and Modeling Pages 101-110 Link Publication -
2022
Title Inverse hydride shuttle catalysis enables the stereoselective one-step synthesis of complex frameworks DOI 10.1038/s41557-022-00991-4 Type Journal Article Author Klose I Journal Nature Chemistry Pages 1306-1310 Link Publication -
2022
Title A Structure-Based View on ABC-Transporter Linked to Multidrug Resistance DOI 10.20944/preprints202210.0066.v1 Type Preprint Author Huang J Link Publication -
2022
Title A selectivity filter mutation provides insights into gating regulation of a K+ channel DOI 10.1038/s42003-022-03303-1 Type Journal Article Author Friesacher T Journal Communications Biology Pages 345 Link Publication -
2022
Title Saturated reconstruction of living brain tissue DOI 10.1101/2022.03.16.484431 Type Preprint Author Velicky P Pages 2022.03.16.484431 Link Publication -
2022
Title a-Conotoxin RgIA and oligoarginine R8 in the mice model alleviate long-term oxaliplatin induced neuropathy DOI 10.1016/j.biochi.2021.12.013 Type Journal Article Author Dyachenko I Journal Biochimie Pages 127-136 -
2022
Title Development of IKATP Ion Channel Blockers Targeting Sulfonylurea Resistant Mutant KIR6.2 Based Channels for Treating DEND Syndrome DOI 10.3389/fphar.2021.814066 Type Journal Article Author Houtman M Journal Frontiers in Pharmacology Pages 814066 Link Publication -
2022
Title A de novo missense variant in GABRA4 alters receptor function in an epileptic and neurodevelopmental phenotype DOI 10.1111/epi.17188 Type Journal Article Author Vogel F Journal Epilepsia Link Publication -
2022
Title Unravelling Mechanisms of Doxorubicin-Induced Toxicity in 3D Human Intestinal Organoids DOI 10.3390/ijms23031286 Type Journal Article Author Rodrigues D Journal International Journal of Molecular Sciences Pages 1286 Link Publication -
2022
Title Tricyclic antipsychotics and antidepressants can inhibit a5-containing GABAA receptors by two distinct mechanisms DOI 10.1111/bph.15807 Type Journal Article Author Bampali K Journal British Journal of Pharmacology Pages 3675-3692 Link Publication -
2022
Title Structural basis of organic cation transporter-3 inhibition DOI 10.1101/2022.07.14.499921 Type Preprint Author Khanppnavar B Pages 2022.07.14.499921 Link Publication -
2022
Title Uncovering brain tissue architecture across scales with super-resolution light microscopy DOI 10.1101/2022.08.17.504272 Type Preprint Author Michalska J Pages 2022.08.17.504272 Link Publication -
2022
Title ß subunits of GABAA receptors form proton-gated chloride channels: Insights into the molecular basis DOI 10.1038/s42003-022-03720-2 Type Journal Article Author Garifulina A Journal Communications Biology Pages 784 Link Publication -
2022
Title Nonadiabatic forward flux sampling for excited-state rare events DOI 10.48550/arxiv.2208.00686 Type Preprint Author Reiner M -
2022
Title Unravelling the Turn-On Fluorescence Mechanism of a Fluorescein-Based Probe in GABAA Receptors DOI 10.1002/anie.202205198 Type Journal Article Author Singer N Journal Angewandte Chemie International Edition Link Publication -
2022
Title Clerodane Diterpenes from Casearia corymbosa as Allosteric GABAA Receptor Modulators DOI 10.1021/acs.jnatprod.1c00840 Type Journal Article Author Syafni N Journal Journal of Natural Products Pages 1201-1210 Link Publication -
2022
Title Unravelling the Turn-On Fluorescence Mechanism of a Fluorescein-Based Probe in GABAA Receptors DOI 10.1002/ange.202205198 Type Journal Article Author Singer N Journal Angewandte Chemie Link Publication -
2022
Title KNIME workflow for retrieving causal drug and protein interactions, building networks, and performing topological enrichment analysis demonstrated by a DILI case study DOI 10.1186/s13321-022-00615-6 Type Journal Article Author Füzi B Journal Journal of Cheminformatics Pages 37 Link Publication -
2021
Title Interaction Profiles of Central Nervous System Active Drugs at Human Organic Cation Transporters 1–3 and Human Plasma Membrane Monoamine Transporter DOI 10.3390/ijms222312995 Type Journal Article Author Angenoorth T Journal International Journal of Molecular Sciences Pages 12995 Link Publication -
2015
Title Identification of the First Highly Subtype-Selective Inhibitor of Human GABA Transporter GAT3 DOI 10.1021/acschemneuro.5b00150 Type Journal Article Author Damgaard M Journal ACS Chemical Neuroscience Pages 1591-1599 -
2015
Title Human Ether-à-go-go Related Gene (hERG) Channel Blocking Aporphine Alkaloids from Lotus Leaves and Their Quantitative Analysis in Dietary Weight Loss Supplements DOI 10.1021/acs.jafc.5b01901 Type Journal Article Author Grienke U Journal Journal of Agricultural and Food Chemistry Pages 5634-5639 -
2015
Title From Stereodefined Cyclobutenes to Dienes: Total Syntheses of Ieodomycin D and the Southern Fragment of Macrolactin A DOI 10.1021/acs.orglett.5b02149 Type Journal Article Author Souris C Journal Organic Letters Pages 4486-4489 -
2015
Title hERG Channel Inhibitory Daphnane Diterpenoid Orthoesters and Polycephalones A and B with Unprecedented Skeletons from Gnidia polycephala DOI 10.1021/acs.jnatprod.5b00344 Type Journal Article Author De Mieri M Journal Journal of Natural Products Pages 1697-1707 -
2015
Title Proper Voltage-Dependent Ion Channel Function in Dysferlin-Deficient Cardiomyocytes DOI 10.1159/000430278 Type Journal Article Author Rubi L Journal Cellular Physiology and Biochemistry Pages 1049-1058 Link Publication -
2015
Title The ABC of Phytohormone Translocation DOI 10.1055/s-0035-1545880 Type Journal Article Author Hellsberg E Journal Planta Medica Pages 474-487 Link Publication -
2015
Title Piperine Congeners as Inhibitors of Vascular Smooth Muscle Cell Proliferation* DOI 10.1055/s-0035-1546165 Type Journal Article Author Mair C Journal Planta Medica Pages 1065-1074 -
2015
Title HPLC-Based Activity Profiling for hERG Channel Inhibitors in the South African Medicinal Plant Galenia africana * DOI 10.1055/s-0035-1545929 Type Journal Article Author Du K Journal Planta Medica Pages 1154-1162 -
2015
Title Molecular Dynamics Simulations of KirBac1.1 Mutants Reveal Global Gating Changes of Kir Channels DOI 10.1021/acs.jcim.5b00010 Type Journal Article Author Linder T Journal Journal of Chemical Information and Modeling Pages 814-822 Link Publication -
2015
Title Novel scaffolds for modulation of TRPV1 identified with pharmacophore modeling and virtual screening DOI 10.4155/fmc.14.168 Type Journal Article Author Goldmann D Journal Future medicinal chemistry Pages 243-256 Link Publication -
2015
Title Binding Mode Selection Determines the Action of Ecstasy Homologs at Monoamine Transporters DOI 10.1124/mol.115.101394 Type Journal Article Author Sandtner W Journal Molecular Pharmacology Pages 165-175 Link Publication -
2017
Title Cocaine adulteration DOI 10.1016/j.jchemneu.2017.06.001 Type Journal Article Author Kudlacek O Journal Journal of Chemical Neuroanatomy Pages 75-81 Link Publication -
2017
Title Toward Serotonin Fluorescent False Neurotransmitters: Development of Fluorescent Dual Serotonin and Vesicular Monoamine Transporter Substrates for Visualizing Serotonin Neurons DOI 10.1021/acschemneuro.7b00320 Type Journal Article Author Henke A Journal ACS Chemical Neuroscience Pages 925-934 Link Publication -
2017
Title Occupancy of the Zinc-binding Site by Transition Metals Decreases the Substrate Affinity of the Human Dopamine Transporter by an Allosteric Mechanism* DOI 10.1074/jbc.m116.760140 Type Journal Article Author Li Y Journal Journal of Biological Chemistry Pages 4235-4243 Link Publication -
2017
Title Towards functional selectivity for a6ß3?2 GABAA receptors: a series of novel pyrazoloquinolinones DOI 10.1111/bph.14087 Type Journal Article Author Treven M Journal British Journal of Pharmacology Pages 419-428 Link Publication -
2017
Title Key role of segment IS4 in Cav1.2 inactivation: link between activation and inactivation DOI 10.1007/s00424-017-2038-3 Type Journal Article Author Andranovits S Journal Pflügers Archiv - European Journal of Physiology Pages 1485-1493 Link Publication -
2017
Title Correlation between human ether-a-go-go-related gene channel inhibition and action potential prolongation DOI 10.1111/bph.13942 Type Journal Article Author Saxena P Journal British Journal of Pharmacology Pages 3081-3093 Link Publication -
2017
Title Linked magnolol dimer as a selective PPAR? agonist – Structure-based rational design, synthesis, and bioactivity evaluation DOI 10.1038/s41598-017-12628-5 Type Journal Article Author Dreier D Journal Scientific Reports Pages 13002 Link Publication -
2017
Title Structure–Activity Relationship, Pharmacological Characterization, and Molecular Modeling of Noncompetitive Inhibitors of the Betaine/?-Aminobutyric Acid Transporter 1 (BGT1) DOI 10.1021/acs.jmedchem.7b00924 Type Journal Article Author Jørgensen L Journal Journal of Medicinal Chemistry Pages 8834-8846 -
2017
Title Conserved functional consequences of disease-associated mutations in the slide helix of Kir6.1 and Kir6.2 subunits of the ATP-sensitive potassium channel DOI 10.1074/jbc.m117.804971 Type Journal Article Author Cooper P Journal Journal of Biological Chemistry Pages 17387-17398 Link Publication -
2017
Title Molecular tools for GABAA receptors: High affinity ligands for ß1-containing subtypes DOI 10.1038/s41598-017-05757-4 Type Journal Article Author Simeone X Journal Scientific Reports Pages 5674 Link Publication -
2017
Title PA-6 inhibits inward rectifier currents carried by V93I and D172N gain-of-function KIR2.1 channels, but increases channel protein expression DOI 10.1186/s12929-017-0352-x Type Journal Article Author Ji Y Journal Journal of Biomedical Science Pages 44 Link Publication -
2017
Title Molecular Basis of Altered hERG1 Channel Gating Induced by Ginsenoside Rg3 DOI 10.1124/mol.117.108886 Type Journal Article Author Gardner A Journal Molecular Pharmacology Pages 437-450 Link Publication -
2017
Title Fluorinated phenmetrazine “legal highs” act as substrates for high-affinity monoamine transporters of the SLC6 family DOI 10.1016/j.neuropharm.2017.10.006 Type Journal Article Author Mayer F Journal Neuropharmacology Pages 149-157 Link Publication -
2017
Title C2-Modified Sparteine Derivatives Are a New Class of Potentially Long-Acting Sodium Channel Blockers DOI 10.1002/cmdc.201700568 Type Journal Article Author Gawali V Journal ChemMedChem Pages 1819-1822 -
2017
Title Development of Non-GAT1-Selective Inhibitors: Challenges and Achievements DOI 10.1007/978-3-319-55769-4_16 Type Book Chapter Author Damgaard M Publisher Springer Nature Pages 315-332 -
2012
Title Neutralisation of a single voltage sensor affects gating determinants in all four pore-forming S6 segments of CaV1.2: a cooperative gating model DOI 10.1007/s00424-012-1144-5 Type Journal Article Author Beyl S Journal Pflügers Archiv - European Journal of Physiology Pages 391-401 Link Publication -
2012
Title Towards an understanding of the psychostimulant action of amphetamine and cocaine DOI 10.1007/978-3-211-99751-2_11 Type Book Chapter Author Weissensteiner R Publisher Springer Nature Pages 183-203 -
2012
Title Understanding subtype-selective allosteric modulation of GABAAreceptors DOI 10.1186/2050-6511-13-s1-a26 Type Journal Article Author Puthenkalam R Journal BMC Pharmacology and Toxicology Link Publication -
2020
Title Exploring the molecular determinants for subtype-selectivity of 2-amino-1,4,5,6-tetrahydropyrimidine-5-carboxylic acid analogs as betaine/GABA transporter 1 (BGT1) substrate-inhibitors DOI 10.1038/s41598-020-69908-w Type Journal Article Author Kickinger S Journal Scientific Reports Pages 12992 Link Publication -
2020
Title Application of Relay C-H Oxidation Logic to Polyhydroxylated Oleanane Triterpenoids DOI 10.1016/j.chempr.2020.04.007 Type Journal Article Author Berger M Journal Chem Pages 1183-1189 -
2020
Title Combining SchNet and SHARC: The SchNarc Machine Learning Approach for Excited-State Dynamics DOI 10.1021/acs.jpclett.0c00527 Type Journal Article Author Westermayr J Journal The Journal of Physical Chemistry Letters Pages 3828-3834 Link Publication -
2020
Title Pharmacological Characterization of a Betaine/GABA Transporter 1 (BGT1) Inhibitor Displaying an Unusual Biphasic Inhibition Profile and Anti-seizure Effects DOI 10.1007/s11064-020-03017-y Type Journal Article Author Lie M Journal Neurochemical Research Pages 1551-1565 Link Publication -
2020
Title Neural networks and kernel ridge regression for excited states dynamics of CH2NH 2+: From single-state to multi-state representations and multi-property machine learning models DOI 10.1088/2632-2153/ab88d0 Type Journal Article Author Westermayr J Journal Machine Learning: Science and Technology Pages 025009 Link Publication -
2020
Title Machine learning and excited-state molecular dynamics DOI 10.1088/2632-2153/ab9c3e Type Journal Article Author Westermayr J Journal Machine Learning: Science and Technology Pages 043001 Link Publication -
2020
Title Computational Insights Into Voltage Dependence of Polyamine Block in a Strong Inwardly Rectifying K+ Channel DOI 10.3389/fphar.2020.00721 Type Journal Article Author Chen X Journal Frontiers in Pharmacology Pages 721 Link Publication -
2020
Title A widespread role for SLC transmembrane transporters in resistance to cytotoxic drugs DOI 10.1038/s41589-020-0483-3 Type Journal Article Author Girardi E Journal Nature Chemical Biology Pages 469-478 Link Publication -
2018
Title Interspecies comparison of putative ligand binding sites of human, rat and mouse P-glycoprotein DOI 10.1016/j.ejps.2018.06.022 Type Journal Article Author Jain S Journal European Journal of Pharmaceutical Sciences Pages 134-143 Link Publication -
2018
Title Calcium channel gating DOI 10.1007/s00424-018-2163-7 Type Journal Article Author Hering S Journal Pflügers Archiv - European Journal of Physiology Pages 1291-1309 Link Publication -
2018
Title A kinetic account for amphetamine-induced monoamine release DOI 10.1085/jgp.201711915 Type Journal Article Author Hasenhuetl P Journal Journal of General Physiology Pages 431-451 Link Publication -
2018
Title Dehydroevodiamine and hortiamine, alkaloids from the traditional Chinese herbal drug Evodia rutaecarpa, are IKr blockers with proarrhythmic effects in vitro and in vivo DOI 10.1016/j.phrs.2018.02.024 Type Journal Article Author Baburin I Journal Pharmacological Research Pages 150-163 Link Publication -
2018
Title Design and Synthesis of Novel Deuterated Ligands Functionally Selective for the ?-Aminobutyric Acid Type A Receptor (GABAAR) a6 Subtype with Improved Metabolic Stability and Enhanced Bioavailability DOI 10.1021/acs.jmedchem.7b01664 Type Journal Article Author Knutson D Journal Journal of Medicinal Chemistry Pages 2422-2446 Link Publication -
2018
Title Comparing the performance of meta-classifiers—a case study on selected imbalanced data sets relevant for prediction of liver toxicity DOI 10.1007/s10822-018-0116-z Type Journal Article Author Jain S Journal Journal of Computer-Aided Molecular Design Pages 583-590 Link Publication -
2018
Title Haploinsufficiency of the intellectual disability gene SETD5 disturbs developmental gene expression and cognition DOI 10.1038/s41593-018-0266-2 Type Journal Article Author Deliu E Journal Nature Neuroscience Pages 1717-1727 -
2018
Title Neuropharmacology of Synthetic Cathinones DOI 10.1007/164_2018_178 Type Book Chapter Author Baumann M Publisher Springer Nature Pages 113-142 Link Publication -
2018
Title Cellular N-myristoyltransferases play a crucial picornavirus genus-specific role in viral assembly, virion maturation, and infectivity DOI 10.1371/journal.ppat.1007203 Type Journal Article Author Ramljak I Journal PLOS Pathogens Link Publication -
2015
Title Total Synthesis of an Exceptional Brominated 4-Pyrone Derivative of Algal Origin: An Exercise in Gold Catalysis and Alkyne Metathesis DOI 10.1002/chem.201500437 Type Journal Article Author Hoffmeister L Journal Chemistry – A European Journal Pages 4529-4533 -
2015
Title Synthesis and in Silico Evaluation of Novel Compounds for PET-Based Investigations of the Norepinephrine Transporter DOI 10.3390/molecules20011712 Type Journal Article Author Neudorfer C Journal Molecules Pages 1712-1730 Link Publication -
2015
Title A Binding Mode Hypothesis of Tiagabine Confirms Liothyronine Effect on ?-Aminobutyric Acid Transporter 1 (GAT1) DOI 10.1021/jm5015428 Type Journal Article Author Jurik A Journal Journal of Medicinal Chemistry Pages 2149-2158 Link Publication -
2015
Title Refinement of the Central Steps of Substrate Transport by the Aspartate Transporter GltPh: Elucidating the Role of the Na2 Sodium Binding Site DOI 10.1371/journal.pcbi.1004551 Type Journal Article Author Venkatesan S Journal PLOS Computational Biology Link Publication -
2015
Title Developing piperine towards TRPV1 and GABA A receptor ligands – synthesis of piperine analogs via Heck-coupling of conjugated dienes DOI 10.1039/c4ob02242d Type Journal Article Author Wimmer L Journal Organic & Biomolecular Chemistry Pages 990-994 -
2015
Title Nanopharmacological Force Sensing to Reveal Allosteric Coupling in Transporter Binding Sites DOI 10.1002/anie.201508755 Type Journal Article Author Zhu R Journal Angewandte Chemie International Edition Pages 1719-1722 Link Publication -
2015
Title Structure activity relationship of selective GABA uptake inhibitors DOI 10.1016/j.bmc.2015.03.060 Type Journal Article Author Vogensen S Journal Bioorganic & Medicinal Chemistry Pages 2480-2488 -
2015
Title Light-assisted small-molecule screening against protein kinases DOI 10.1038/nchembio.1933 Type Journal Article Author Inglés-Prieto Á Journal Nature Chemical Biology Pages 952-954 Link Publication -
2015
Title Nitrogenated honokiol derivatives allosterically modulate GABAA receptors and act as strong partial agonists DOI 10.1016/j.bmc.2015.08.034 Type Journal Article Author Bernaskova M Journal Bioorganic & Medicinal Chemistry Pages 6757-6762 -
2015
Title Amphetamine Action at the Cocaine- and Antidepressant-Sensitive Serotonin Transporter Is Modulated by aCaMKII DOI 10.1523/jneurosci.4034-14.2015 Type Journal Article Author Steinkellner T Journal The Journal of Neuroscience Pages 8258-8271 Link Publication -
2015
Title Mechanism of Modification, by Lidocaine, of Fast and Slow Recovery from Inactivation of Voltage-Gated Na+ Channels DOI 10.1124/mol.115.099580 Type Journal Article Author Gawali V Journal Molecular Pharmacology Pages 866-879 -
2015
Title Identification of the putative binding pocket of valerenic acid on GABAA receptors using docking studies and site-directed mutagenesis DOI 10.1111/bph.13329 Type Journal Article Author Luger D Journal British Journal of Pharmacology Pages 5403-5413 Link Publication -
2015
Title Molecular Determinants for Nuclear Import of Influenza A PB2 by Importin a Isoforms 3 and 7 DOI 10.1016/j.str.2014.11.015 Type Journal Article Author Pumroy R Journal Structure Pages 374-384 Link Publication -
2015
Title Flipping the Photoswitch: Ion Channels Under Light Control DOI 10.1007/978-1-4939-2845-3_6 Type Book Chapter Author Mckenzie C Publisher Springer Nature Pages 101-117 -
2011
Title Timothy Mutation Disrupts the Link between Activation and Inactivation in CaV1.2 Protein* DOI 10.1074/jbc.m111.255273 Type Journal Article Author Depil K Journal Journal of Biological Chemistry Pages 31557-31564 Link Publication -
2011
Title Insights into structure–activity relationship of GABAA receptor modulating coumarins and furanocoumarins DOI 10.1016/j.ejphar.2011.06.034 Type Journal Article Author Singhuber J Journal European Journal of Pharmacology Pages 57-64 Link Publication -
2011
Title In silico Analysis of Conformational Changes Induced by Mutation of Aromatic Binding Residues: Consequences for Drug Binding in the hERG K+ Channel DOI 10.1371/journal.pone.0028778 Type Journal Article Author Knape K Journal PLoS ONE Link Publication -
2016
Title Light at the End of the Protein: Crystal Structure of a C-Terminal Light-Sensing Domain DOI 10.1016/j.str.2016.01.002 Type Journal Article Author Janovjak H Journal Structure Pages 213-215 Link Publication -
2016
Title Upward movement of IS4 and IIIS4 is a rate-limiting stage in Cav1.2 activation DOI 10.1007/s00424-016-1895-5 Type Journal Article Author Beyl S Journal Pflügers Archiv - European Journal of Physiology Pages 1895-1907 Link Publication -
2016
Title hERG Channel Blocking Ipecac Alkaloids Identified by Combined In Silico – In Vitro Screening* DOI 10.1055/s-0042-105572 Type Journal Article Author Kratz J Journal Planta Medica Pages 1009-1015 -
2016
Title Structural basis of control of inward rectifier Kir2 channel gating by bulk anionic phospholipids DOI 10.1085/jgp.201611616 Type Journal Article Author Lee S Journal Journal of General Physiology Pages 227-237 Link Publication -
2016
Title Targeting the ?-Aminobutyric Acid A Receptor a4 Subunit in Airway Smooth Muscle to Alleviate Bronchoconstriction DOI 10.1165/rcmb.2015-0176oc Type Journal Article Author Yocum G Journal American journal of respiratory cell and molecular biology Pages 546-553 Link Publication -
2016
Title Development of GABAA Receptor Subtype-Selective Imidazobenzodiazepines as Novel Asthma Treatments DOI 10.1021/acs.molpharmaceut.6b00159 Type Journal Article Author Forkuo G Journal Molecular Pharmaceutics Pages 2026-2038 Link Publication -
2016
Title Structural Studies of GABAA Receptor Binding Sites: Which Experimental Structure Tells us What? DOI 10.3389/fnmol.2016.00044 Type Journal Article Author Puthenkalam R Journal Frontiers in Molecular Neuroscience Pages 44 Link Publication -
2016
Title Synthesis and antimicrobial evaluation of novel analogues of dehydroabietic acid prepared by CH-Activation DOI 10.1016/j.ejmech.2016.12.012 Type Journal Article Author Berger M Journal European Journal of Medicinal Chemistry Pages 937-943 -
2016
Title Analysis of ß-Subunit-dependent GABAA Receptor Modulation and Behavioral Effects of Valerenic Acid Derivatives DOI 10.1124/jpet.116.232983 Type Journal Article Author Khom S Journal The Journal of Pharmacology and Experimental Therapeutics Pages 580-590 Link Publication -
2016
Title Synthesis of tetrahydrofuran-based natural products and their carba analogs via stereoselective enzyme mediated Baeyer–Villiger oxidation DOI 10.1016/j.tet.2015.11.048 Type Journal Article Author Rudroff F Journal Tetrahedron Pages 7212-7221 Link Publication -
2016
Title The Environment Shapes the Inner Vestibule of LeuT DOI 10.1371/journal.pcbi.1005197 Type Journal Article Author Sohail A Journal PLOS Computational Biology Link Publication -
2014
Title Accelerated Discovery of Novel Benzodiazepine Ligands by Experiment-Guided Virtual Screening DOI 10.1021/cb5001873 Type Journal Article Author Middendorp S Journal ACS Chemical Biology Pages 1854-1859 -
2014
Title Exploring the Structure of the Voltage-gated Na+ Channel by an Engineered Drug Access Pathway to the Receptor Site for Local Anesthetics* DOI 10.1074/jbc.m113.541763 Type Journal Article Author Lukacs P Journal Journal of Biological Chemistry Pages 21770-21781 Link Publication -
2014
Title Amphetamines, new psychoactive drugs and the monoamine transporter cycle DOI 10.1016/j.tips.2014.11.006 Type Journal Article Author Sitte H Journal Trends in Pharmacological Sciences Pages 41-50 Link Publication -
2014
Title Structural Insights into Trapping and Dissociation of Small Molecules in K+ Channels DOI 10.1021/ci500353r Type Journal Article Author Linder T Journal Journal of Chemical Information and Modeling Pages 3218-3228 -
2014
Title In Vivo Amphetamine Action is Contingent on aCaMKII DOI 10.1038/npp.2014.124 Type Journal Article Author Steinkellner T Journal Neuropsychopharmacology Pages 2681-2693 Link Publication -
2014
Title A Pentasymmetric Open Channel Blocker for Cys-Loop Receptor Channels DOI 10.1371/journal.pone.0106688 Type Journal Article Author Carta V Journal PLoS ONE Link Publication -
2013
Title Amphetamine actions at the serotonin transporter rely on the availability of phosphatidylinositol-4,5-bisphosphate DOI 10.1073/pnas.1220552110 Type Journal Article Author Buchmayer F Journal Proceedings of the National Academy of Sciences Pages 11642-11647 Link Publication -
2013
Title Probing the Selectivity of Monoamine Transporter Substrates by Means of Molecular Modeling DOI 10.1002/minf.201300013 Type Journal Article Author Seddik A Journal Molecular Informatics Pages 409-413 Link Publication -
2013
Title Mechanism of hERG Channel Block by the Psychoactive Indole Alkaloid Ibogaine DOI 10.1124/jpet.113.209643 Type Journal Article Author Thurner P Journal The Journal of Pharmacology and Experimental Therapeutics Pages 346-358 -
2013
Title Methods for quantification of pore–voltage sensor interaction in CaV1.2 DOI 10.1007/s00424-013-1319-8 Type Journal Article Author Beyl S Journal Pflügers Archiv - European Journal of Physiology Pages 265-274 Link Publication -
2013
Title Probing the Energy Landscape of Activation Gating of the Bacterial Potassium Channel KcsA DOI 10.1371/journal.pcbi.1003058 Type Journal Article Author Linder T Journal PLoS Computational Biology Link Publication -
2013
Title Classification of High-Activity Tiagabine Analogs by Binary QSAR Modeling DOI 10.1002/minf.201300020 Type Journal Article Author Jurik A Journal Molecular Informatics Pages 415-419 Link Publication -
2013
Title Anti-addiction drug ibogaine inhibits voltage-gated ionic currents: A study to assess the drug's cardiac ion channel profile DOI 10.1016/j.taap.2013.05.012 Type Journal Article Author Koenig X Journal Toxicology and Applied Pharmacology Pages 259-268 Link Publication -
2020
Title A Benzodiazepine Ligand with Improved GABAA Receptor a5-Subunit Selectivity Driven by Interactions with Loop C DOI 10.1124/molpharm.120.000067 Type Journal Article Author Simeone X Journal Molecular Pharmacology Pages 39-48 Link Publication -
2020
Title Deep learning for UV absorption spectra with SchNarc: First steps toward transferability in chemical compound space DOI 10.1063/5.0021915 Type Journal Article Author Westermayr J Journal The Journal of Chemical Physics Pages 154112 Link Publication -
2020
Title Machine Learning for Electronically Excited States of Molecules DOI 10.1021/acs.chemrev.0c00749 Type Journal Article Author Westermayr J Journal Chemical Reviews Pages 9873-9926 Link Publication -
2020
Title A silver-coated copper wire as inexpensive drug eluting stent model: determination of the relative releasing properties of leoligin and derivatives DOI 10.1007/s00706-020-02677-4 Type Journal Article Author Czollner L Journal Monatshefte für Chemie - Chemical Monthly Pages 1317-1326 -
2020
Title Molecular mechanisms for targeted ASD treatments DOI 10.1016/j.gde.2020.06.004 Type Journal Article Author Basilico B Journal Current Opinion in Genetics & Development Pages 126-137 Link Publication -
2020
Title SLC6 transporter oligomerization DOI 10.1111/jnc.15145 Type Journal Article Author Jayaraman K Journal Journal of Neurochemistry Pages 919-929 Link Publication -
2020
Title Combining In Vivo Data with In Silico Predictions for Modeling Hepatic Steatosis by Using Stratified Bagging and Conformal Prediction DOI 10.1021/acs.chemrestox.0c00511 Type Journal Article Author Jain S Journal Chemical Research in Toxicology Pages 656-668 Link Publication -
2013
Title Efficient and specific cardiac IK1 inhibition by a new pentamidine analogue DOI 10.1093/cvr/cvt103 Type Journal Article Author Takanari H Journal Cardiovascular Research Pages 203-214 -
2012
Title The Mechanistic Basis for Noncompetitive Ibogaine Inhibition of Serotonin and Dopamine Transporters* DOI 10.1074/jbc.m112.343681 Type Journal Article Author Bulling S Journal Journal of Biological Chemistry Pages 18524-18534 Link Publication -
2012
Title Ca2+/Calmodulin-dependent Protein Kinase IIa (aCaMKII) Controls the Activity of the Dopamine Transporter IMPLICATIONS FOR ANGELMAN SYNDROME* DOI 10.1074/jbc.m112.367219 Type Journal Article Author Steinkellner T Journal Journal of Biological Chemistry Pages 29627-29635 Link Publication -
2012
Title Distinct interactions of Na+ and Ca2+ ions with the selectivity filter of the bacterial sodium channel NaVAb DOI 10.1016/j.bbrc.2012.12.055 Type Journal Article Author Ke S Journal Biochemical and Biophysical Research Communications Pages 1272-1276 -
2014
Title Late cardiac sodium current can be assessed using automated patch-clamp DOI 10.12688/f1000research.5544.1 Type Journal Article Author Chevalier M Journal F1000Research Pages 245 Link Publication -
2014
Title Esters of valerenic acid as potential prodrugs DOI 10.1016/j.ejphar.2014.03.019 Type Journal Article Author Hintersteiner J Journal European Journal of Pharmacology Pages 123-131 Link Publication -
2014
Title Metal Catalyzed Cross-Coupling Reactions in the Decoration of Pyrimidine, Pyridazine, and Pyrazine DOI 10.1007/7081_2014_138 Type Book Chapter Author Wimmer L Publisher Springer Nature Pages 61-157 -
2014
Title Identification of dihydrostilbenes in Pholidota chinensis as a new scaffold for GABAA receptor modulators DOI 10.1016/j.bmc.2014.01.008 Type Journal Article Author Rueda D Journal Bioorganic & Medicinal Chemistry Pages 1276-1284 -
2014
Title Metal-assisted synthesis of unsymmetrical magnolol and honokiol analogs and their biological assessment as GABAA receptor ligands DOI 10.1016/j.bmcl.2014.10.091 Type Journal Article Author Rycek L Journal Bioorganic & Medicinal Chemistry Letters Pages 400-403 Link Publication -
2014
Title Different Inward and Outward Conduction Mechanisms in NaVMs Suggested by Molecular Dynamics Simulations DOI 10.1371/journal.pcbi.1003746 Type Journal Article Author Ke S Journal PLoS Computational Biology Link Publication -
2014
Title Efficient Modulation of ?-Aminobutyric Acid Type A Receptors by Piperine Derivatives DOI 10.1021/jm5002277 Type Journal Article Author Scho¨Ffmann A Journal Journal of Medicinal Chemistry Pages 5602-5619 Link Publication -
2014
Title 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 DOI 10.1016/j.bmcl.2014.07.085 Type Journal Article Author Neudorfer C Journal Bioorganic & Medicinal Chemistry Letters Pages 4490-4495 -
2014
Title ‘Second-Generation’ Mephedrone Analogs, 4-MEC and 4-MePPP, Differentially Affect Monoamine Transporter Function DOI 10.1038/npp.2014.325 Type Journal Article Author Saha K Journal Neuropsychopharmacology Pages 1321-1331 Link Publication -
2014
Title Axonal Targeting of the Serotonin Transporter in Cultured Rat Dorsal Raphe Neurons Is Specified by SEC24C-Dependent Export from the Endoplasmic Reticulum DOI 10.1523/jneurosci.2991-13.2014 Type Journal Article Author Montgomery T Journal The Journal of Neuroscience Pages 6344-6351 Link Publication -
2014
Title Structure and Regulatory Interactions of the Cytoplasmic Terminal Domains of Serotonin Transporter DOI 10.1021/bi500637f Type Journal Article Author Fenollar-Ferrer C Journal Biochemistry Pages 5444-5460 Link Publication -
2014
Title Identification of dehydroabietc acid from Boswellia thurifera resin as a positive GABAA receptor modulator DOI 10.1016/j.fitote.2014.09.002 Type Journal Article Author Rueda D Journal Fitoterapia Pages 28-34 -
2014
Title Natural Products as Potential Human Ether-A-Go-Go-Related Gene Channel Inhibitors – Screening of Plant-Derived Alkaloids DOI 10.1055/s-0034-1368590 Type Journal Article Author Schramm A Journal Planta Medica Pages 740-746 -
2014
Title Experimentally Validated hERG Pharmacophore Models as Cardiotoxicity Prediction Tools DOI 10.1021/ci5001955 Type Journal Article Author Kratz J Journal Journal of Chemical Information and Modeling Pages 2887-2901 -
2014
Title Exploiting open data: a new era in pharmacoinformatics DOI 10.4155/fmc.14.13 Type Journal Article Author Goldmann D Journal Future medicinal chemistry Pages 503-514 -
2020
Title Chemoselective Alpha-Deuteration of Amides via Retro-ene Reaction DOI 10.1002/chem.202004103 Type Journal Article Author Porte V Journal Chemistry – A European Journal Pages 15509-15512 Link Publication -
2020
Title The role of the degenerate nucleotide binding site in type I ABC exporters DOI 10.1002/1873-3468.13997 Type Journal Article Author Stockner T Journal FEBS Letters Pages 3815-3838 Link Publication -
2020
Title Allosteric Modulation of Neurotransmitter Transporters as a Therapeutic Strategy DOI 10.1016/j.tips.2020.04.006 Type Journal Article Author Niello M Journal Trends in Pharmacological Sciences Pages 446-463 Link Publication -
2020
Title Oral batyl alcohol supplementation rescues decreased cardiac conduction in ether phospholipid-deficient mice DOI 10.1002/jimd.12264 Type Journal Article Author Todt H Journal Journal of Inherited Metabolic Disease Pages 1046-1055 Link Publication -
2018
Title C-H Activation Enables a Concise Total Synthesis of Quinine and Analogues with Enhanced Antimalarial Activity DOI 10.1002/anie.201804551 Type Journal Article Author Donovan D Journal Angewandte Chemie International Edition Pages 10737-10741 Link Publication -
2018
Title C-H-Aktivierung ermöglicht eine kurze Totalsynthese von Chinin und Analoga mit erhöhter Anti-Malaria-Aktivität DOI 10.1002/ange.201804551 Type Journal Article Author Donovan D Journal Angewandte Chemie Pages 10897-10901 Link Publication -
2018
Title Different Benzodiazepines Bind with Distinct Binding Modes to GABAA Receptors DOI 10.1021/acschembio.8b00144 Type Journal Article Author Elgarf A Journal ACS Chemical Biology Pages 2033-2039 Link Publication -
2018
Title Dopamine transporter oligomerization involves the scaffold domain, but spares the bundle domain DOI 10.1371/journal.pcbi.1006229 Type Journal Article Author Jayaraman K Journal PLOS Computational Biology Link Publication -
2018
Title The psychostimulant (±)-cis-4,4'-dimethylaminorex (4,4'-DMAR) interacts with human plasmalemmal and vesicular monoamine transporters DOI 10.1016/j.neuropharm.2018.06.018 Type Journal Article Author Maier J Journal Neuropharmacology Pages 282-291 Link Publication -
2018
Title An unsuspected role for organic cation transporter 3 in the actions of amphetamine DOI 10.1038/s41386-018-0053-5 Type Journal Article Author Mayer F Journal Neuropsychopharmacology Pages 2408-2417 Link Publication -
2018
Title Optical functionalization of human Class A orphan G-protein-coupled receptors DOI 10.1038/s41467-018-04342-1 Type Journal Article Author Morri M Journal Nature Communications Pages 1950 Link Publication -
2018
Title Stereoselective Synthesis of the Isomers of Notoincisol A: Assigment of the Absolute Configuration of this Natural Product and Biological Evaluation DOI 10.1021/acs.jnatprod.8b00439 Type Journal Article Author Rycek L Journal Journal of Natural Products Pages 2419-2428 Link Publication -
2018
Title Comparative analysis of novel decynium-22 analogs to inhibit transport by the low-affinity, high-capacity monoamine transporters, organic cation transporters 2 and 3, and plasma membrane monoamine transporter DOI 10.1016/j.ejphar.2018.10.028 Type Journal Article Author Fraser-Spears R Journal European Journal of Pharmacology Pages 351-364 Link Publication -
2018
Title The synthetic cathinones, butylone and pentylone, are stimulants that act as dopamine transporter blockers but 5-HT transporter substrates DOI 10.1007/s00213-018-5075-5 Type Journal Article Author Saha K Journal Psychopharmacology Pages 953-962 Link Publication -
2018
Title “Polytox” synthetic cathinone abuse: A potential role for organic cation transporter 3 in combined cathinone-induced efflux DOI 10.1016/j.neuint.2018.09.008 Type Journal Article Author Mayer F Journal Neurochemistry International Pages 7-12 Link Publication -
2018
Title Magnolol dimer-derived fragments as PPAR?-selective probes DOI 10.1039/c8ob01745j Type Journal Article Author Dreier D Journal Organic & Biomolecular Chemistry Pages 7019-7028 Link Publication -
2018
Title DARK Classics in Chemical Neuroscience: Aminorex Analogues DOI 10.1021/acschemneuro.8b00415 Type Journal Article Author Maier J Journal ACS Chemical Neuroscience Pages 2484-2502 Link Publication -
2018
Title Design, Synthesis, and Pharmacological Evaluation of Novel ß2/3 Subunit-Selective ?-Aminobutyric Acid Type A (GABAA) Receptor Modulators DOI 10.1021/acs.jmedchem.8b00859 Type Journal Article Author Stadler M Journal Journal of Medicinal Chemistry Pages 317-341 -
2018
Title SAR-Guided Scoring Function and Mutational Validation Reveal the Binding Mode of CGS-8216 at the a1+/?2– Benzodiazepine Site DOI 10.1021/acs.jcim.8b00199 Type Journal Article Author Siebert D Journal Journal of Chemical Information and Modeling Pages 1682-1696 -
2018
Title Impaired neural stem cell expansion and hypersensitivity to epileptic seizures in mice lacking the EGFR in the brain DOI 10.1111/febs.14603 Type Journal Article Author Robson J Journal The FEBS Journal Pages 3175-3196 Link Publication -
2018
Title Engineered Flumazenil Recognition Site Provides Mechanistic Insight Governing Benzodiazepine Modulation in GABAA Receptors DOI 10.1021/acschembio.8b00145 Type Journal Article Author Siebert D Journal ACS Chemical Biology Pages 2040-2047 -
2018
Title Diversity matters: combinatorial information coding by GABAA receptor subunits during spatial learning and its allosteric modulation DOI 10.1016/j.cellsig.2018.07.003 Type Journal Article Author Szodorai E Journal Cellular Signalling Pages 142-159 -
2018
Title Linked Open Data: Ligand-Transporter Interaction Profiling and Beyond DOI 10.1007/7653_2018_13 Type Book Chapter Author Kickinger S Publisher Springer Nature Pages 405-417 -
2018
Title Genomics in neurodevelopmental disorders: an avenue to personalized medicine DOI 10.1038/s12276-018-0129-7 Type Journal Article Author Tarlungeanu D Journal Experimental & Molecular Medicine Pages 1-7 Link Publication -
2018
Title Isolation of synaptic vesicles from genetically engineered cultured neurons DOI 10.1016/j.jneumeth.2018.11.018 Type Journal Article Author Mckenzie C Journal Journal of Neuroscience Methods Pages 114-121 -
2018
Title Expeditious synthesis of polyacetylenic water hemlock toxins and their effects on the major GABA A receptor isoform DOI 10.1039/c7cc09801d Type Journal Article Author Berger M Journal Chemical Communications Pages 2008-2011 Link Publication -
2018
Title Molecular Insights into hERG Potassium Channel Blockade by Lubeluzole DOI 10.1159/000488169 Type Journal Article Author Gualdani R Journal Cellular Physiology and Biochemistry Pages 2233-2245 Link Publication -
2018
Title Distinct modulation of inactivation by a residue in the pore domain of voltage-gated Na+ channels: mechanistic insights from recent crystal structures DOI 10.1038/s41598-017-18919-1 Type Journal Article Author Cervenka R Journal Scientific Reports Pages 631 Link Publication -
2018
Title An Unsuspected Role for Organic Cation Transporter 3 in the Actions of Amphetamine DOI 10.1096/fasebj.2018.32.1_supplement.820.8 Type Journal Article Author Mayer F Journal The FASEB Journal Pages 820.8-820.8 Link Publication -
2017
Title Grünlicht-induzierte Rezeptorinaktivierung durch Cobalamin-bindende Domänen DOI 10.1002/ange.201611998 Type Journal Article Author Kainrath S Journal Angewandte Chemie Pages 4679-4682 Link Publication -
2017
Title Green-Light-Induced Inactivation of Receptor Signaling Using Cobalamin-Binding Domains DOI 10.1002/anie.201611998 Type Journal Article Author Kainrath S Journal Angewandte Chemie International Edition Pages 4608-4611 Link Publication -
2017
Title HPLC-Based Activity Profiling for GABAA Receptor Modulators in Searsia pyroides Using a Larval Zebrafish Locomotor Assay* DOI 10.1055/s-0043-110768 Type Journal Article Author Moradi-Afrapoli F Journal Planta Medica Pages 1169-1175 -
2017
Title (Z)-4,6-Dichloro-N-(4-chlorophenyl)quinoline-3-carbimidoyl chloride DOI 10.1107/s2414314617002747 Type Journal Article Author Weil M Journal IUCrData Link Publication -
2017
Title Direct Functionalization of C-H Bonds by Iron, Nickel, and Cobalt Catalysis DOI 10.1002/chem.201605657 Type Journal Article Author Pototschnig G Journal Chemistry – A European Journal Pages 9206-9232 -
2017
Title Optogenetic methods in drug screening: technologies and applications DOI 10.1016/j.copbio.2017.02.006 Type Journal Article Author Agus V Journal Current Opinion in Biotechnology Pages 8-14 -
2017
Title Direct PIP2 binding mediates stable oligomer formation of the serotonin transporter DOI 10.1038/ncomms14089 Type Journal Article Author Anderluh A Journal Nature Communications Pages 14089 Link Publication -
2017
Title Dynamics of the EAG1 K+ channel selectivity filter assessed by molecular dynamics simulations DOI 10.1016/j.bbrc.2017.01.064 Type Journal Article Author Bernsteiner H Journal Biochemical and Biophysical Research Communications Pages 107-112 Link Publication -
2017
Title Second International Electronic Conference on Medicinal Chemistry (ECMC-2) DOI 10.3390/ph10010020 Type Journal Article Author Mayence A Journal Pharmaceuticals Pages 20 Link Publication -
2017
Title Structure based classification for bile salt export pump (BSEP) inhibitors using comparative structural modeling of human BSEP DOI 10.1007/s10822-017-0021-x Type Journal Article Author Jain S Journal Journal of Computer-Aided Molecular Design Pages 507-521 Link Publication -
2017
Title GABAA receptor activity modulating piperine analogs: In vitro metabolic stability, metabolite identification, CYP450 reaction phenotyping, and protein binding DOI 10.1016/j.jchromb.2017.11.036 Type Journal Article Author Zabela V Journal Journal of Chromatography B Pages 379-389 Link Publication -
2016
Title Impaired Amino Acid Transport at the Blood Brain Barrier Is a Cause of Autism Spectrum Disorder DOI 10.1016/j.cell.2016.11.013 Type Journal Article Author Tarlungeanu D Journal Cell Link Publication -
2016
Title Tracer Flux Measurements to Study Outward Transport by Monoamine Neurotransmitter Transporters DOI 10.1007/978-1-4939-3765-3_2 Type Book Chapter Author Steinkellner T Publisher Springer Nature Pages 23-40 -
2016
Title Are reprogrammed cells a useful tool for studying dopamine dysfunction in psychotic disorders? A review of the current evidence DOI 10.1111/ejn.13418 Type Journal Article Author Sauerzopf U Journal European Journal of Neuroscience Pages 45-57 Link Publication -
2016
Title From linked open data to molecular interaction: studying selectivity trends for ligands of the human serotonin and dopamine transporter DOI 10.1039/c6md00207b Type Journal Article Author Zdrazil B Journal MedChemComm Pages 1819-1831 Link Publication -
2016
Title Drug trapping in hERG K + channels: (not) a matter of drug size? DOI 10.1039/c5md00443h Type Journal Article Author Linder T Journal MedChemComm Pages 512-518 Link Publication -
2016
Title Application of a Combined Approach to Identify New Psychoactive Street Drugs and Decipher Their Mechanisms at Monoamine Transporters DOI 10.1007/7854_2016_63 Type Book Chapter Author Mayer F Publisher Springer Nature Pages 333-350 -
2016
Title Phase I metabolites of mephedrone display biological activity as substrates at monoamine transporters DOI 10.1111/bph.13547 Type Journal Article Author Mayer F Journal British Journal of Pharmacology Pages 2657-2668 Link Publication -
2016
Title New potential binding determinant for hERG channel inhibitors DOI 10.1038/srep24182 Type Journal Article Author Saxena P Journal Scientific Reports Pages 24182 Link Publication -
2016
Title Combined Simulation and Mutation Studies to Elucidate Selectivity of Unsubstituted Amphetamine-like Cathinones at the Dopamine Transporter DOI 10.1002/minf.201600094 Type Journal Article Author Seddik A Journal Molecular Informatics -
2016
Title Eine Phytochrom-Sensordomäne ermöglicht eine Rezeptoraktivierung durch rotes Licht DOI 10.1002/ange.201601736 Type Journal Article Author Reichhart E Journal Angewandte Chemie Pages 6447-6450 -
2016
Title In vitro blood–brain barrier permeability predictions for GABAA receptor modulating piperine analogs DOI 10.1016/j.ejpb.2016.03.029 Type Journal Article Author Eigenmann D Journal European Journal of Pharmaceutics and Biopharmaceutics Pages 118-126 Link Publication -
2016
Title Experimental Data Guided Docking of Small Molecules into Homology Models of Neurotransmitter Transporters DOI 10.1007/978-1-4939-3765-3_5 Type Book Chapter Author Jurik A Publisher Springer Nature Pages 83-89 -
2016
Title Empowering pharmacoinformatics by linked life science data DOI 10.1007/s10822-016-9990-4 Type Journal Article Author Goldmann D Journal Journal of Computer-Aided Molecular Design Pages 319-328 Link Publication -
2016
Title A Phytochrome Sensory Domain Permits Receptor Activation by Red Light DOI 10.1002/anie.201601736 Type Journal Article Author Reichhart E Journal Angewandte Chemie International Edition Pages 6339-6342 -
2016
Title Bridging C-H Activation: Mild and Versatile Cleavage of the 8-Aminoquinoline Directing Group DOI 10.1002/chem.201604344 Type Journal Article Author Berger M Journal Chemistry – A European Journal Pages 16805-16808 -
2013
Title Enhanced currents through L-type calcium channels in cardiomyocytes disturb the electrophysiology of the dystrophic heart DOI 10.1152/ajpheart.00441.2013 Type Journal Article Author Koenig X Journal American Journal of Physiology-Heart and Circulatory Physiology Link Publication -
2013
Title Evidence for a Role of Transporter-Mediated Currents in the Depletion of Brain Serotonin Induced by Serotonin Transporter Substrates DOI 10.1038/npp.2013.331 Type Journal Article Author Baumann M Journal Neuropsychopharmacology Pages 1355-1365 Link Publication -
2013
Title Aminorex, a metabolite of the cocaine adulterant levamisole, exerts amphetamine like actions at monoamine transporters DOI 10.1016/j.neuint.2013.11.010 Type Journal Article Author Hofmaier T Journal Neurochemistry International Pages 32-41 Link Publication -
2013
Title GABAA receptor modulation by piperine and a non-TRPV1 activating derivative DOI 10.1016/j.bcp.2013.04.017 Type Journal Article Author Khom S Journal Biochemical Pharmacology Pages 1827-1836 Link Publication -
2013
Title Identification of novel positive allosteric modulators and null modulators at the GABAA receptor a+ß- interface DOI 10.1111/bph.12151 Type Journal Article Author Varagic Z Journal British Journal of Pharmacology Pages 371-383 Link Publication -
2013
Title Structure-activity relationships of pentamidine-affected ion channel trafficking and dofetilide mediated rescue DOI 10.1111/bph.12208 Type Journal Article Author Varkevisser R Journal British Journal of Pharmacology Pages 1322-1334 Link Publication -
2013
Title How Far Could We Go with Open Data – A Case Study for TRPV1 Antagonists DOI 10.1002/minf.201300019 Type Journal Article Author Tsareva D Journal Molecular Informatics Pages 555-562 Link Publication -
2013
Title Unexpected Properties of d-Containing GABAA Receptors in Response to Ligands Interacting with the a+ ß- Site DOI 10.1007/s11064-013-1156-3 Type Journal Article Author Mirheydari P Journal Neurochemical Research Pages 1057-1067 Link Publication -
2019
Title Computational identification of novel Kir6 channel inhibitors DOI 10.1101/539460 Type Preprint Author Chen X Pages 539460 Link Publication -
2019
Title A structural model of the human serotonin transporter in an outward-occluded state DOI 10.1371/journal.pone.0217377 Type Journal Article Author Hellsberg E Journal PLOS ONE Link Publication -
2019
Title Variations on a scaffold - Novel GABAA receptor modulators DOI 10.1016/j.ejmech.2019.07.008 Type Journal Article Author Iorio M Journal European Journal of Medicinal Chemistry Pages 340-349 Link Publication -
2019
Title Structural and molecular aspects of betaine-GABA transporter 1 (BGT1) and its relation to brain function DOI 10.1016/j.neuropharm.2019.05.021 Type Journal Article Author Kickinger S Journal Neuropharmacology Pages 107644 -
2019
Title A Domino 10-Step Total Synthesis of FR252921 and Its Analogues, Complex Macrocyclic Immunosuppressants DOI 10.1021/jacs.9b07185 Type Journal Article Author Chen Y Journal Journal of the American Chemical Society Pages 13772-13777 Link Publication -
2019
Title Modeling GIRK channel conductance DOI 10.1085/jgp.201912479 Type Journal Article Author Short B Journal Journal of General Physiology Pages 1159-1159 Link Publication -
2019
Title Conduction through a narrow inward-rectifier K+ channel pore DOI 10.1085/jgp.201912359 Type Journal Article Author Bernsteiner H Journal Journal of General Physiology Pages 1231-1246 Link Publication -
2019
Title Synthesis and Biological Studies of (+)-Liquiditerpenoic Acid A (Abietopinoic Acid) and Representative Analogues: SAR Studies DOI 10.1021/acs.jnatprod.8b00884 Type Journal Article Author Hamulic´ D Journal Journal of Natural Products Pages 823-831 Link Publication -
2019
Title In Silico Approaches to Predict Drug-Transporter Interaction Profiles: Data Mining, Model Generation, and Link to Cholestasis DOI 10.1007/978-1-4939-9420-5_26 Type Book Chapter Author Jain S Publisher Springer Nature Pages 383-396 -
2019
Title para-Trifluoromethyl-methcathinone is an allosteric modulator of the serotonin transporter DOI 10.1016/j.neuropharm.2019.04.021 Type Journal Article Author Niello M Journal Neuropharmacology Pages 107615 -
2019
Title Stereochemistry of phase-1 metabolites of mephedrone determines their effectiveness as releasers at the serotonin transporter DOI 10.1016/j.neuropharm.2018.12.032 Type Journal Article Author Mayer F Journal Neuropharmacology Pages 199-209 Link Publication -
2019
Title Atomistic basis of opening and conduction in mammalian inward rectifier potassium (Kir2.2) channels DOI 10.1085/jgp.201912422 Type Journal Article Author Zangerl-Plessl E Journal Journal of General Physiology Link Publication -
2019
Title Toward a Structural View of hERG Activation by the Small-Molecule Activator ICA-105574 DOI 10.1021/acs.jcim.9b00737 Type Journal Article Author Zangerl-Plessl E Journal Journal of Chemical Information and Modeling Pages 360-371 -
2019
Title Machine learning enables long time scale molecular photodynamics simulations DOI 10.1039/c9sc01742a Type Journal Article Author Westermayr J Journal Chemical Science Pages 8100-8107 Link Publication -
2019
Title The Amino Terminus of LeuT Changes Conformation in an Environment Sensitive Manner DOI 10.1007/s11064-019-02928-9 Type Journal Article Author Khan J Journal Neurochemical Research Pages 1387-1398 Link Publication -
2019
Title Computational Identification of Novel Kir6 Channel Inhibitors DOI 10.3389/fphar.2019.00549 Type Journal Article Author Chen X Journal Frontiers in Pharmacology Pages 549 Link Publication -
2019
Title a-Arylation of Carbonyl Compounds through Oxidative C-C Bond Activation DOI 10.1002/anie.201904899 Type Journal Article Author Li J Journal Angewandte Chemie International Edition Pages 9816-9819 Link Publication -
2019
Title Glibenclamide and HMR1098 normalize Cantú syndrome-associated gain-of-function currents DOI 10.1111/jcmm.14329 Type Journal Article Author Houtman M Journal Journal of Cellular and Molecular Medicine Pages 4962-4969 Link Publication -
2019
Title Defined concatenated a6a1ß3?2 GABAA receptor constructs reveal dual action of pyrazoloquinolinone allosteric modulators DOI 10.1016/j.bmc.2019.06.006 Type Journal Article Author Simeone X Journal Bioorganic & Medicinal Chemistry Pages 3167-3178 -
2019
Title Atomistic basis of opening and conduction in mammalian inward rectifier potassium (Kir2.2) channels DOI 10.1101/642090 Type Preprint Author Zangerl-Plessl E Pages 642090 Link Publication -
2016
Title Divergent ynamide reactivity in the presence of azides – an experimental and computational study DOI 10.1039/c6sc01945e Type Journal Article Author Tona V Journal Chemical Science Pages 6032-6040 Link Publication -
2016
Title High-rate deposition of silicon films in a magnetron discharge with liquid target DOI 10.1088/1742-6596/768/1/012015 Type Journal Article Author Tumarkin A Journal Journal of Physics: Conference Series Pages 012015 Link Publication