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