Works matching AU Langer, Thierry

Results: 78

GBPM: GRID-based pharmacophore model: concept and application studies to protein–protein recognition.

Published in:

Bioinformatics, 2006, v. 22, n. 12, p. 1449, doi. 10.1093/bioinformatics/btl115

By:

Francesco Ortuso;
Thierry Langer;
Stefano Alcaro

Publication type:

Article

A new set of KNIME nodes implementing the QPhAR algorithm.

Published in:

Molecular Informatics, 2023, v. 42, n. 5, p. 1, doi. 10.1002/minf.202200245

By:

Kohlbacher, Stefan M.;
Ibis, Gökhan;
Permann, Christian;
Bryant, Sharon;
Langer, Thierry;
Seidel, Thomas

Publication type:

Article

Applications of the Pharmacophore Concept in Natural Product inspired Drug Design.

Published in:

Molecular Informatics, 2020, v. 39, n. 11, p. 1, doi. 10.1002/minf.202000059

By:

Seidel, Thomas;
Wieder, Oliver;
Garon, Arthur;
Langer, Thierry

Publication type:

Article

A Computational Approach to Identify Potential Novel Inhibitors against the Coronavirus SARS‐CoV‐2.

Published in:

Molecular Informatics, 2020, v. 39, n. 10, p. 1, doi. 10.1002/minf.202000090

By:

Battisti, Verena;
Wieder, Oliver;
Garon, Arthur;
Seidel, Thomas;
Urban, Ernst;
Langer, Thierry

Publication type:

Article

A Combination of Pharmacophore and Docking‐based Virtual Screening to Discover new Tyrosinase Inhibitors.

Published in:

Molecular Informatics, 2020, v. 39, n. 3, p. 1, doi. 10.1002/minf.201900054

By:

Vittorio, Serena;
Seidel, Thomas;
Germanò, Maria Paola;
Gitto, Rosaria;
Ielo, Laura;
Garon, Arthur;
Rapisarda, Antonio;
Pace, Vittorio;
Langer, Thierry;
De Luca, Laura

Publication type:

Article

QPHAR: quantitative pharmacophore activity relationship: method and validation.

Published in:

Journal of Cheminformatics, 2021, v. 13, n. 1, p. 1, doi. 10.1186/s13321-021-00537-9

By:

Kohlbacher, Stefan M.;
Langer, Thierry;
Seidel, Thomas

Publication type:

Article

Multiple Virtual Screening Strategies for the Discovery of Novel Compounds Active Against Dengue Virus: A Hit Identification Study.

Published in:

Scientia Pharmaceutica, 2020, v. 88, n. 1, p. 1, doi. 10.3390/scipharm88010002

By:

Hengphasatporn, Kowit;
Garon, Arthur;
Wolschann, Peter;
Langer, Thierry;
Yasuteru, Shigeta;
Huynh, Thao N. T.;
Chavasiri, Warinthorn;
Saelee, Thanaphon;
Boonyasuppayakorn, Siwaporn;
Rungrotmongkol, Thanyada

Publication type:

Article

Acylation of a novel quinoxalinyl substituted pyrazole derivative. synthesis, quantum chemistry calculations, and x-ray structure analysis.

Published in:

Journal of Heterocyclic Chemistry, 1998, v. 35, n. 1, p. 113, doi. 10.1002/jhet.5570350121

By:

Matuszczak, Barbara;
Langer, Thierry;
Mereiter, Kurt

Publication type:

Article

Novel diazinyl 3-pyridyl ketones: Efficient synthesis and complete assignment of 1H and 13C NMR spectra.

Published in:

Journal of Heterocyclic Chemistry, 1997, v. 34, n. 1, p. 17, doi. 10.1002/jhet.5570340103

By:

Heinisch, Gottfried;
Langer, Thierry;
Lukavsky, Peter

Publication type:

Article

Pyridazines LXXVIII.

Published in:

Journal of Heterocyclic Chemistry, 1996, v. 33, n. 6, p. 1731, doi. 10.1002/jhet.5570330631

By:

Heinisch, Gottfried;
Langer, Thierry;
Tonnel, Jacques

Publication type:

Article

Alkylation of non-electron rich nitrogen heterocycles by alkyl orthoformates: Quantum chemistry calculations.

Published in:

Journal of Heterocyclic Chemistry, 1996, v. 33, n. 4, p. 1413, doi. 10.1002/jhet.5570330467

By:

Guccione, Salvatore;
Russo, Filippo;
Langer, Thierry

Publication type:

Article

Pyridazines. LXVIII.

Published in:

Journal of Heterocyclic Chemistry, 1993, v. 30, n. 6, p. 1685, doi. 10.1002/jhet.5570300639

By:

Heinisch, Gottfried;
Langer, Thierry

Publication type:

Article

A Robust, Eco-Friendly Access to Secondary Thioamides through the Addition of Organolithium Reagents to Isothiocyanates in Cyclopentyl Methyl Ether (CPME).

Published in:

Chemistry - A European Journal, 2015, v. 21, n. 52, p. 18966, doi. 10.1002/chem.201504247

By:

Pace, Vittorio;
Castoldi, Laura;
Monticelli, Serena;
Safranek, Sandra;
Roller, Alexander;
Langer, Thierry;
Holzer, Wolfgang

Publication type:

Article

A Straightforward Homologation of Carbon Dioxide with Magnesium Carbenoids en Route to α‐Halocarboxylic Acids.

Published in:

Advanced Synthesis & Catalysis, 2019, v. 361, n. 5, p. 1001, doi. 10.1002/adsc.201801614

By:

Monticelli, Serena;
Urban, Ernst;
Langer, Thierry;
Holzer, Wolfgang;
Pace, Vittorio

Publication type:

Article

Chemoselective Addition of Halomethyllithiums to Functionalized Isatins:A Straightforward Access to Spiro-Epoxyoxindoles.

Published in:

Advanced Synthesis & Catalysis, 2016, v. 358, n. 2, p. 172, doi. 10.1002/adsc.201500840

By:

Pace, Vittorio;
Castoldi, Laura;
Mamuye, Ashenafi Damtew;
Langer, Thierry;
Holzer, Wolfgang

Publication type:

Article

Pharmacy Practice and Education in Austria.

Published in:

Pharmacy, 2018, v. 6, n. 3, p. 55, doi. 10.3390/pharmacy6030055

By:

Langer, Thierry;
Spreitzer, Helmut;
Ditfurth, Teresa;
Stemer, Gunar;
Atkinson, Jeffrey

Publication type:

Article

Cognitive profiling and proteomic analysis of the modafinil analogue S-CE-123 in experienced aged rats.

Published in:

Scientific Reports, 2021, v. 11, n. 1, p. 1, doi. 10.1038/s41598-021-03372-y

By:

Gyertyán, István;
Lubec, Jana;
Ernyey, Alíz Judit;
Gerner, Christopher;
Kassai, Ferenc;
Kalaba, Predrag;
Kozma, Kata;
Cobankovic, Iva;
Brenner, Gábor;
Wackerlig, Judith;
Franschitz, Eva;
Urban, Ernst;
Langer, Thierry;
Malikovic, Jovana;
Lubec, Gert

Publication type:

Article

Cytotoxicity Of Chalcone Of Eugenia aquea Burm F. Leaves Against T47D Breast Cancer Cell Lines And Its Prediction As An Estrogen Receptor Antagonist Based On Pharmacophore-Molecular Dynamics Simulation.

Published in:

Advances & Applications in Bioinformatics & Chemistry, 2019, v. 12, p. 33, doi. 10.2147/AABC.S217205

By:

Muchtaridi, Muchtaridi;
Yusuf, Muhammad;
Syahidah, Hasna Nur;
Subarnas, Anas;
Zamri, Adel;
Bryant, Sharon D;
Langer, Thierry

Publication type:

Article

A Novel Dopamine Transporter Inhibitor CE-123 Improves Cognitive Flexibility and Maintains Impulsivity in Healthy Male Rats.

Published in:

Frontiers in Behavioral Neuroscience, 2017, p. 1, doi. 10.3389/fnbeh.2017.00222

By:

Nikiforuk, Agnieszka;
Kalaba, Predrag;
Ilic, Marija;
Korz, Volker;
Dragačević, Vladimir;
Wackerlig, Judith;
Langer, Thierry;
Höger, Harald;
Golebiowska, Joanna;
Popik, Piotr;
Lubec, Gert

Publication type:

Article

Consecutive and Selective Double Methylene Insertion of Lithium Carbenoids to Isothiocyanates: A Direct Assembly of Four‐Membered Sulfur‐Containing Cycles.

Published in:

Angewandte Chemie International Edition, 2021, v. 60, n. 47, p. 24854, doi. 10.1002/anie.202110641

By:

Senatore, Raffaele;
Malik, Monika;
Langer, Thierry;
Holzer, Wolfgang;
Pace, Vittorio

Publication type:

Article

Consecutive and Selective Double Methylene Insertion of Lithium Carbenoids to Isothiocyanates: A Direct Assembly of Four‐Membered Sulfur‐Containing Cycles.

Published in:

Angewandte Chemie International Edition, 2021, v. 60, n. 47, p. 24854, doi. 10.1002/anie.202110641

By:

Senatore, Raffaele;
Malik, Monika;
Langer, Thierry;
Holzer, Wolfgang;
Pace, Vittorio

Publication type:

Article

Pharmacophore-based discovery of 2-(phenylamino)aceto-hydrazides as potent eosinophil peroxidase (EPO) inhibitors.

Published in:

Journal of Enzyme Inhibition & Medicinal Chemistry, 2018, v. 33, n. 1, p. 1529, doi. 10.1080/14756366.2018.1512598

By:

Schuster, Daniela;
Zederbauer, Martina;
Langer, Thierry;
Kubin, Andreas;
Furtmüller, Paul G.

Publication type:

Article

Binding investigation and preliminary optimisation of the 3-amino-1,2,4-triazin-5(2H)-one core for the development of new Fyn inhibitors.

Published in:

Journal of Enzyme Inhibition & Medicinal Chemistry, 2018, v. 33, n. 1, p. 956, doi. 10.1080/14756366.2018.1469017

By:

Poli, Giulio;
Lapillo, Margherita;
Granchi, Carlotta;
Caciolla, Jessica;
Mouawad, Nayla;
Caligiuri, Isabella;
Rizzolio, Flavio;
Langer, Thierry;
Minutolo, Filippo;
Tuccinardi, Tiziano

Publication type:

Article

Cover Feature: Sustainable Asymmetric Organolithium Chemistry: Enantio‐ and Chemoselective Acylations through Recycling of Solvent, Sparteine, and Weinreb "Amine" (ChemSusChem 6/2019).

Published in:

ChemSusChem, 2019, v. 12, n. 6, p. 1113, doi. 10.1002/cssc.201900638

By:

Monticelli, Serena;
Holzer, Wolfgang;
Langer, Thierry;
Roller, Alexander;
Olofsson, Berit;
Pace, Vittorio

Publication type:

Article

Sustainable Asymmetric Organolithium Chemistry: Enantio‐ and Chemoselective Acylations through Recycling of Solvent, Sparteine, and Weinreb "Amine".

Published in:

ChemSusChem, 2019, v. 12, n. 6, p. 1147, doi. 10.1002/cssc.201802815

By:

Monticelli, Serena;
Holzer, Wolfgang;
Langer, Thierry;
Roller, Alexander;
Olofsson, Berit;
Pace, Vittorio

Publication type:

Article

R-Modafinil exerts weak effects on spatial memory acquisition and dentate gyrus synaptic plasticity.

Published in:

PLoS ONE, 2017, v. 12, n. 6, p. 1, doi. 10.1371/journal.pone.0179675

By:

Shanmugasundaram, Bharanidharan;
Aher, Yogesh D.;
Aradska, Jana;
Ilic, Marija;
Daba Feyissa, Daniel;
Kalaba, Predrag;
Aher, Nilima Y.;
Dragacevic, Vladimir;
Saber Marouf, Babak;
Langer, Thierry;
Sitte, Harald H.;
Hoeger, Harald;
Lubec, Gert;
Korz, Volker

Publication type:

Article

Pharmacophore-guided identification of flavonoid compounds as potential inhibitors for 3C protease of enterovirus A71 and coxsackievirus A16.

Published in:

ScienceAsia, 2025, v. 51, n. 1, p. 1, doi. 10.2306/scienceasia1513-1874.2025.018

By:

Rungrotmongkol, Thanyada;
Sripattarphan, Amita;
Sanachai, Kamonpan;
Chavasiri, Warinthorn;
Wolschann, Peter;
Langer, Thierry;
Boonyasuppayakorn, Siwaporn

Publication type:

Article

Chirality Matters: Fine-Tuning of Novel Monoamine Reuptake Inhibitors Selectivity through Manipulation of Stereochemistry.

Published in:

Biomolecules (2218-273X), 2023, v. 13, n. 9, p. 1415, doi. 10.3390/biom13091415

By:

Kalaba, Predrag;
Pacher, Katharina;
Neill, Philip John;
Dragacevic, Vladimir;
Zehl, Martin;
Wackerlig, Judith;
Kirchhofer, Michael;
Sartori, Simone B.;
Gstach, Hubert;
Kouhnavardi, Shima;
Fabisikova, Anna;
Pillwein, Matthias;
Monje-Quiroga, Francisco;
Ebner, Karl;
Prado-Roller, Alexander;
Singewald, Nicolas;
Urban, Ernst;
Langer, Thierry;
Pifl, Christian;
Lubec, Jana

Publication type:

Article

Low-Affinity/High-Selectivity Dopamine Transport Inhibition Sufficient to Rescue Cognitive Functions in the Aging Rat.

Published in:

Biomolecules (2218-273X), 2023, v. 13, n. 3, p. 467, doi. 10.3390/biom13030467

By:

Lubec, Jana;
Hussein, Ahmed M.;
Kalaba, Predrag;
Feyissa, Daniel Daba;
Arias-Sandoval, Edgar;
Cybulska-Klosowicz, Anita;
Bezu, Mekite;
Stojanovic, Tamara;
Korz, Volker;
Malikovic, Jovana;
Aher, Nilima Y.;
Zehl, Martin;
Dragacevic, Vladimir;
Leban, Johann Jakob;
Sagheddu, Claudia;
Wackerlig, Judith;
Pistis, Marco;
Correa, Merce;
Langer, Thierry;
Urban, Ernst

Publication type:

Article

Synthesis, Single Crystal X-Ray Analysis, Prediction and Study of Pharmacological Activity of 4-(1H-Benzo[d]imidazol-2-yl)-1-Phenyl-1H-1,2,3-triazol-5-Amine and Its Solvates.

Published in:

Crystals (2073-4352), 2019, v. 9, n. 12, p. 644, doi. 10.3390/cryst9120644

By:

Ivachtchenko, Alexandre V.;
Mitkin, Oleg D.;
Kravchenko, Dmitry V.;
Kovalenko, Sergiy M.;
Shishkina, Svitlana V.;
Bunyatyan, Natalya D.;
Konovalova, Irina S.;
Ivanov, Vladimir V.;
Konovalova, Olena D.;
Langer, Thierry

Publication type:

Article

Synthesis, X-Ray Crystal Structure, Hirshfeld Surface Analysis, and Molecular Docking Study of Novel Hepatitis B (HBV) Inhibitor: 8-Fluoro-5-(4-fluorobenzyl)-3-(2-methoxybenzyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one.

Published in:

Crystals (2073-4352), 2019, v. 9, n. 8, p. 379, doi. 10.3390/cryst9080379

By:

Ivashchenko, Aleksandr V.;
Mitkin, Oleg D.;
Kravchenko, Dmitry V.;
Kuznetsova, Irina V.;
Kovalenko, Sergiy M.;
Bunyatyan, Natalya D.;
Langer, Thierry

Publication type:

Article

Barbituric acid derivative BAS 02104951 inhibits PKCɛ, PKCη, PKCɛ/RACK2 interaction, Elk-1 phosphorylation in HeLa and PKCɛ and η translocation in PC3 cells following TPA-induction.

Published in:

Journal of Biochemistry, 2011, v. 149, n. 3, p. 331, doi. 10.1093/jb/mvq147

By:

Gruber, Peter;
Rechfeld, Florian;
Kirchmair, Johannes;
Hauser, Nina;
Boehler, Markus;
Garczarczyk, Dorota;
Langer, Thierry;
Hofmann, Johann

Publication type:

Article

Lead Identification for Modulators of Multidrug Resistance based on in silico Screening with a Pharmacophoric Feature Model.

Published in:

Archiv der Pharmazie, 2004, v. 337, n. 6, p. 317, doi. 10.1002/ardp.200300817

By:

Thierry Langer;
Monika Eder;
Remy D. Hoffmann;
Peter Chiba

Publication type:

Article

Synthesis, Biological Evaluation, and Docking Studies of Antagonistic Hydroxylated Arecaidine Esters Targeting mAChRs.

Published in:

Molecules, 2022, v. 27, n. 10, p. 3173, doi. 10.3390/molecules27103173

By:

Kilian, Jonas;
Millard, Marlon;
Ozenil, Marius;
Krause, Dominik;
Ghaderi, Khadija;
Holzer, Wolfgang;
Urban, Ernst;
Spreitzer, Helmut;
Wadsak, Wolfgang;
Hacker, Marcus;
Langer, Thierry;
Pichler, Verena

Publication type:

Article

Greedy 3-Point Search (G3PS)—A Novel Algorithm for Pharmacophore Alignment.

Published in:

Molecules, 2021, v. 26, n. 23, p. 7201, doi. 10.3390/molecules26237201

By:

Permann, Christian;
Seidel, Thomas;
Langer, Thierry

Publication type:

Article

Improved Lipophilicity and Aqueous Solubility Prediction with Composite Graph Neural Networks.

Published in:

Molecules, 2021, v. 26, n. 20, p. 6185, doi. 10.3390/molecules26206185

By:

Wieder, Oliver;
Kuenemann, Mélaine;
Wieder, Marcus;
Seidel, Thomas;
Meyer, Christophe;
Bryant, Sharon D.;
Langer, Thierry

Publication type:

Article

A Novel Series of [1,2,4]Triazolo[4,3-a]Pyridine Sulfonamides as Potential Antimalarial Agents: In Silico Studies, Synthesis and In Vitro Evaluation.

Published in:

Molecules, 2020, v. 25, n. 19, p. 4485, doi. 10.3390/molecules25194485

By:

Karpina, Veronika R.;
Kovalenko, Svitlana S.;
Kovalenko, Sergiy M.;
Drushlyak, Oleksandr G.;
Bunyatyan, Natalya D.;
Georgiyants, Victoriya A.;
Ivanov, Vladimir V.;
Langer, Thierry;
Maes, Louis

Publication type:

Article

Methylation of Methyl 4-Hydroxy-2-thioxo-1,2-dihydroquinoline-3-carboxylate: Synthetic, Crystallographic, and Molecular Docking Studies.

Published in:

Molecules, 2020, v. 25, n. 18, p. 4238, doi. 10.3390/molecules25184238

By:

Kovalenko, Sergiy M.;
Drushlyak, Oleksandr G.;
Shishkina, Svitlana V.;
Konovalova, Irina S.;
Mariutsa, Illia O.;
Bunyatyan, Natalya D.;
Kravchenko, Dmitry V.;
Ivanov, Vladimir V.;
Ivachtchenko, Alexandre V.;
Langer, Thierry;
Musioł, Robert

Publication type:

Article

Pharmacophores in Drug Research.

Published in:

Molecular Informatics, 2010, v. 29, n. 6/7, p. 470, doi. 10.1002/minf.201000022

By:

Langer, Thierry

Publication type:

Article

Sequence-Specific Positions of Water Molecules at the Interface between DNA and Minor Groove Binders.

Published in:

ChemPhysChem, 2008, v. 9, n. 18, p. 2766, doi. 10.1002/cphc.200800647

By:

Spitzer, Gudrun M.;
Fuchs, Julian E.;
Markt, Patrick;
Kirchmair, Johannes;
Wellenzohn, Bernd;
Langer, Thierry;
Liedl, Klaus R.

Publication type:

Article

Consecutive and Selective Double Methylene Insertion of Lithium Carbenoids to Isothiocyanates: A Direct Assembly of Four‐Membered Sulfur‐Containing Cycles.

Published in:

Angewandte Chemie, 2021, v. 133, n. 47, p. 25058, doi. 10.1002/ange.202110641

By:

Senatore, Raffaele;
Malik, Monika;
Langer, Thierry;
Holzer, Wolfgang;
Pace, Vittorio

Publication type:

Article

Telescoped, Divergent, Chemoselective C1 and C1‐C1 Homologation of Imine Surrogates: Access to Quaternary Chloro‐ and Halomethyl‐Trifluoromethyl Aziridines.

Published in:

Angewandte Chemie, 2019, v. 131, n. 8, p. 2501, doi. 10.1002/ange.201812525

By:

Ielo, Laura;
Touqeer, Saad;
Roller, Alexander;
Langer, Thierry;
Holzer, Wolfgang;
Pace, Vittorio

Publication type:

Article

Efficient Access to All-Carbon Quaternary and Tertiary α-Functionalized Homoallyl-type Aldehydes from Ketones.

Published in:

Angewandte Chemie, 2017, v. 129, n. 41, p. 12851, doi. 10.1002/ange.201706236

By:

Pace, Vittorio;
Castoldi, Laura;
Mazzeo, Eugenia;
Rui, Marta;
Langer, Thierry;
Holzer, Wolfgang

Publication type:

Article

Evaluation of the performance of 3D virtual screening protocols: RMSD comparisons, enrichment assessments, and decoy selection—What can we learn from earlier mistakes?

Published in:

Journal of Computer-Aided Molecular Design, 2008, v. 22, n. 3/4, p. 213, doi. 10.1007/s10822-007-9163-6

By:

Kirchmair, Johannes;
Markt, Patrick;
Distinto, Simona;
Wolber, Gerhard;
Langer, Thierry

Publication type:

Article

Pharmacophore modeling and parallel screening for PPAR ligands.

Published in:

Journal of Computer-Aided Molecular Design, 2007, v. 21, n. 10/11, p. 575, doi. 10.1007/s10822-007-9140-0

By:

Markt, Patrick;
Schuster, Daniela;
Kirchmair, Johannes;
Laggner, Christian;
Langer, Thierry

Publication type:

Article

Generation of a homology model of the human histamine H3 receptor for ligand docking and pharmacophore-based screening.

Published in:

Journal of Computer-Aided Molecular Design, 2007, v. 21, n. 8, p. 437, doi. 10.1007/s10822-007-9127-x

By:

Schlegel, Birgit;
Laggner, Christian;
Meier, Rene;
Langer, Thierry;
Schnell, David;
Seifert, Roland;
Stark, Holger;
Höltje, Hans-Dieter;
Sippl, Wolfgang

Publication type:

Article

High-throughput structure-based pharmacophore modelling as a basis for successful parallel virtual screening.

Published in:

Journal of Computer-Aided Molecular Design, 2006, v. 20, n. 12, p. 703, doi. 10.1007/s10822-006-9066-y

By:

Steindl, Theodora M.;
Schuster, Daniela;
Wolber, Gerhard;
Laggner, Christian;
Langer, Thierry

Publication type:

Article

Efficient overlay of small organic molecules using 3D pharmacophores.

Published in:

Journal of Computer-Aided Molecular Design, 2006, v. 20, n. 12, p. 773, doi. 10.1007/s10822-006-9078-7

By:

Wolber, Gerhard;
Dornhofer, Alois A.;
Langer, Thierry

Publication type:

Article

COMPUTER-AIDED RATIONAL DESIGN AND SYNTHESIS OF NEW POTENTIAL ANTIHYPERTENSIVE AGENTS AMONG 1,2,3-TRIAZOLE-CONTAINING NIFEDIPINE ANALOGS.

Published in:

ScienceRise: Pharmaceutical Science, 2024, v. 49, n. 3, p. 96, doi. 10.15587/2519-4852.2024.291626

By:

Kyrychenko, Alexander;
Bylov, Igor;
Geleverya, Anna;
Kovalenko, Sergiy;
Zhuravel, Iryna;
Fetyukhin, Volodymyr;
Langer, Thierry

Publication type:

Article

COMPUTER-AIDED RATIONAL DESIGN AND SYNTHESIS OF NEW POTENTIAL ANTIHYPERTENSIVE AGENTS AMONG 1,2,3-TRIAZOLE-CONTAINING NIFEDIPINE ANALOGS.

Published in:

ScienceRise: Pharmaceutical Science, 2024, v. 49, n. 3, p. 4, doi. 10.15587/2519-4852.2024.291626

By:

Kyrychenko, Alexander;
Bylov, Igor;
Geleverya, Anna;
Kovalenko, Sergiy M.;
Zhuravel, Iryna;
Fetyukhin, Volodymyr;
Langer, Thierry

Publication type:

Article