Works by Langer, Thierry

Results: 78

Long chain diamines inhibit growth of C6 glioma cells according to their hydrophobicity. An in vitro and molecular modeling study.

Published in:

Naunyn-Schmiedeberg's Archives of Pharmacology, 2000, v. 361, n. 3, p. 235, doi. 10.1007/s002109900188

By:

Hochreiter, Romana;
Weiger, Thomas M.;
Colombatto, Sebastiano;
Langer, Thierry;
Thomas, T. J.;
Cabella, Claudia;
Heidegger, Wilhelm;
Grillo, Maria A.;
Hermann, Anton

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

EFMC‐ASMC Kongress in Wien.

Published in:

Nachrichten aus der Chemie, 2018, v. 66, n. 5, p. 563, doi. 10.1002/nadc.20184075477

By:

Langer, Thierry

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

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

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

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

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

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

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

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

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

Computational Identification of Novel Kir6 Channel Inhibitors.

Published in:

Frontiers in Pharmacology, 2019, p. 1, doi. 10.3389/fphar.2019.00549

By:

Chen, Xingyu;
Garon, Arthur;
Wieder, Marcus;
Houtman, Marien J. C.;
Zangerl-Plessl, Eva-Maria;
Langer, Thierry;
van der Heyden, Marcel A. G.;
Stary-Weinzinger, Anna

Publication type:

Article

In vitro and in silico studies of holothurin A on androgen receptor in prostate cancer.

Published in:

Journal of Biomolecular Structure & Dynamics, 2022, v. 40, n. 23, p. 12674, doi. 10.1080/07391102.2021.1975562

By:

Pranweerapaiboon, Kanta;
Garon, Arthur;
Seidel, Thomas;
Janta, Sirorat;
Plubrukarn, Anuchit;
Chaithirayanon, Kulathida;
Langer, Thierry

Publication type:

Article

Back in Person: Frontiers in Medicinal Chemistry 2023.

Published in:

ChemMedChem, 2023, v. 18, n. 19, p. 1, doi. 10.1002/cmdc.202300344

By:

Gehringer, Matthias;
Pape, Felix;
Méndez, María;
Barbie, Philipp;
Unzue Lopez, Andrea;
Lefranc, Julien;
Klingler, Franca‐Maria;
Hessler, Gerhard;
Langer, Thierry;
Diamanti, Eleonora;
Schiedel, Matthias

Publication type:

Article

Successful Drug Discovery, Volume 5. Edited by János Fischer, Christian Klein, and Wayne E. Childers.

Published in:

ChemMedChem, 2022, v. 17, n. 9, p. 1, doi. 10.1002/cmdc.202100705

By:

Langer, Thierry;
Bryant, Sharon D.

Publication type:

Article

Successful Drug Discovery, Volume 4. Edited by János Fischer, Christian Klein, and Wayne E. Childers.

Published in:

ChemMedChem, 2020, v. 15, n. 1, p. 173, doi. 10.1002/cmdc.201900599

By:

Langer, Thierry;
Bryant, Sharon D.

Publication type:

Article

A Molecular Dynamics-Shared Pharmacophore Approach to Boost Early-Enrichment Virtual Screening: A Case Study on Peroxisome Proliferator-Activated Receptor α.

Published in:

ChemMedChem, 2017, v. 12, n. 16, p. 1399, doi. 10.1002/cmdc.201600526

By:

Perricone, Ugo;
Wieder, Marcus;
Seidel, Thomas;
Langer, Thierry;
Padova, Alessandro;
Almerico, Anna Maria;
Tutone, Marco

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 International Edition, 2019, v. 58, n. 8, p. 2479, doi. 10.1002/anie.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 International Edition, 2017, v. 56, n. 41, p. 12677, doi. 10.1002/anie.201706236

By:

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

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

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

Structure-Based Optimization of Benzoic Acids as Inhibitors of Protein Tyrosine Phosphatase 1B and Low Molecular Weight Protein Tyrosine Phosphatase.

Published in:

ChemMedChem, 2009, v. 4, n. 6, p. 957, doi. 10.1002/cmdc.200800427

By:

Maccari, Rosanna;
Ottanà, Rosaria;
Ciurleo, Rosella;
Paoli, Paolo;
Manao, Giampaolo;
Camici, Guido;
Laggner, Christian;
Langer, Thierry

Publication type:

Article

Efficient Large-Scale Preparation of Phenyl 3-Pyridazinyl Ketone.

Published in:

Synthetic Communications, 1994, v. 24, n. 6, p. 773, doi. 10.1080/00397919408011299

By:

Heinisch, Gottfried;
Langer, Thierry

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

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

GABAA receptor-mediated seizure liabilities: a mixed-methods screening approach.

Published in:

Cell Biology & Toxicology, 2023, v. 39, n. 6, p. 2793, doi. 10.1007/s10565-023-09803-y

By:

Bampali, Konstantina;
Koniuszewski, Filip;
Vogel, Florian D.;
Fabjan, Jure;
Andronis, Christos;
Lekka, Eftychia;
Virvillis, Vassilis;
Seidel, Thomas;
Delaunois, Annie;
Royer, Leandro;
Rolf, Michael G.;
Giuliano, Chiara;
Traebert, Martin;
Roussignol, Gautier;
Fric-Bordat, Magali;
Mazelin-Winum, Ludmilla;
Bryant, Sharon D.;
Langer, Thierry;
Ernst, Margot

Publication type:

Article

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

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

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

Identification of repurposing therapeutics toward SARS-CoV-2 main protease by virtual screening.

Published in:

PLoS ONE, 2022, v. 17, n. 6, p. 1, doi. 10.1371/journal.pone.0269563

By:

Sanachai, Kamonpan;
Somboon, Tuanjai;
Wilasluck, Patcharin;
Deetanya, Peerapon;
Wolschann, Peter;
Langer, Thierry;
Lee, Vannajan Sanghiran;
Wangkanont, Kittikhun;
Rungrotmongkol, Thanyada;
Hannongbua, Supot

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

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

Pharmacokinetics of Novel Dopamine Transporter Inhibitor CE-123 and Modafinil with a Focus on Central Nervous System Distribution.

Published in:

International Journal of Molecular Sciences, 2023, v. 24, n. 23, p. 16956, doi. 10.3390/ijms242316956

By:

Spreitzer, Iva;
Keife, Josefin;
Strasser, Tobias;
Kalaba, Predrag;
Lubec, Jana;
Neuhaus, Winfried;
Lubec, Gert;
Langer, Thierry;
Wackerlig, Judith;
Loryan, Irena

Publication type:

Article