Einzelansicht Langer

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Univ.-Prof. Mag. Dr. Thierry Langer

T: +43-1-4277-55103

thierry.langer@univie.ac.at

https://cheminfo.univie.ac.at/people/principal-investigator/thierry-langer/

Winter term 2025

262005 VO Introduction to Computational Biology and Drug Discovery

321001 VO Steop Einführung in die pharmazeutischen Wissenschaften - B1

321028 VO Pharmazeutische Chemie 1 - B15

322001 VO (Bio)pharma. mit Wirkung auf metabol. Störungen & eingeschr. Organ- und Systemfunktionen - M1

322002 VO Antiinfektiva, Antineoplastika und (Bio)pharmazeutika mit Wirkung auf das Immunsystem - M2

322026 VU Ausgewählte Kapitel aus der pharmazeutisch-chemischen Forschung - M13

323001 VU Introduction to Drug Discovery and Preclinical Drug Development - MPS1

323002 UE Introduction to Experimental Methods in Drug Discovery and Preclinical Drug Development - MPS1

323003 VO Basics of Drug Discovery - MPS2

323004 VO Drug Discovery - MPS3

Summer term 2025

251393 VO Pharmazeutische Chemie (synthetische und semisynthetische Arzneistoffe) (VO)

301817 UE MPM 6 - Practical Course: Pharmacoinformatics and structure-based drug design

321029 VO Pharmazeutische Chemie 2 - B15

322005 VO (Bio)pharmazeutika mit Wirkung auf das Herz-Kreislauf System - M4

322006 VO (Bio)pharmazeutika mit Wirkung auf das Nervensystem - M5

322026 VU Ausgewählte Kapitel aus der pharmazeutisch-chemischen Forschung - M13

323001 VU Introduction to Drug Discovery and Preclinical Drug Development - MPS1

323002 UE Introduction to Experimental Methods in Drug Discovery and Preclinical Drug Development - MPS1

323008 SE Case Studies in Drug Discovery and Preclinical Drug Development - MPS7 - (2 Courses)

323101 VU Pharmacoinformatics - MPS5

Winter term 2024

053640 SE Master's Seminar

262005 VO Introduction to Computational Biology and Drug Discovery

321001 VO Steop Einführung in die pharmazeutischen Wissenschaften - B1

321028 VO Pharmazeutische Chemie 1 - B15

322001 VO (Bio)pharma. mit Wirkung auf metabol. Störungen & eingeschr. Organ- und Systemfunktionen - M1

322002 VO Antiinfektiva, Antineoplastika und (Bio)pharmazeutika mit Wirkung auf das Immunsystem - M2

322026 VU Ausgewählte Kapitel aus der pharmazeutisch-chemischen Forschung - M13

323001 VU Introduction to Drug Discovery and Preclinical Drug Development - MPS1

323002 UE Introduction to Experimental Methods in Drug Discovery and Preclinical Drug Development - MPS1

323003 VO Basics of Drug Discovery - MPS2

323004 VO Drug Discovery - MPS3

Vittorio S, Seidel T, Germano MP, Gitto R, Ielo L, Garon A et al. A Combination of Pharmacophore and Docking‐based Virtual Screening to Discover new Tyrosinase Inhibitors. Molecular Informatics. 2020 Mar;39(3):1900054. Epub 2019 Sept 11. doi: 10.1002/minf.201900054

Hengphasatporn K, Garon A, Wolschann P , Langer T, Yasuteru S, Huynh TNT et al. Multiple virtual screening strategies for the discovery of novel compounds active against dengue virus: A hit identification study. Scientia Pharmaceutica. 2020 Mar;88(1):2. doi: 10.3390/scipharm88010002

Kalaba P, Ilić M, Aher NY, Dragačević V, Wieder M, Zehl M et al. Structure-Activity Relationships of Novel Thiazole-Based Modafinil Analogues Acting at Monoamine Transporters. Journal of Medicinal Chemistry. 2020 Jan 9;63(1):391-417. doi: 10.1021/acs.jmedchem.9b01938

Langer T , Bryant SD. Successful Drug Discovery, Volume 4: Edited by János Fischer, Christian Klein, and Wayne E. Childers. ChemMedChem. 2020 Jan 7;15(1):173-173. doi: 10.1002/cmdc.201900599

Ivachtchenko AV, Kovalenko SM, Kravchenko DV, Mitkin OD, Ivanov VV, Langer T. Crystal structure, Hirshfeld analysis and a molecular docking study of a new inhibitor of the Hepatitis B virus (HBV): ethyl 5-methyl-1,1-dioxo- 2-{[5-(pentan-3-yl)-1,2,4-oxadiazol-3-yl]methyl}- 2H-1,2,6-thiadiazine-4-carboxylate. Acta Crystallographica. Section E: Crystallographic Communications. 2020 Jan;76(1):12-17. Epub 2019 Nov 27. doi: 10.1107/S2056989019015986

Evseeva LV, Ivanov VV, Karpina VR, Kovalenko SS, Kuznetsov IE, Langer T et al. The virtual screening application for searching potential antiviral agents to treat COVID-19 disease. Žurnal orhaničnoï ta farmacevtyčnoï chimiï. 2020. doi: 10.24959/ophcj.20.200019

Ivachtchenko AV, Mitkin OD, Kravchenko DV, Kovalenko SM, Shishkina SV, Bunyatyan ND et al. 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. Crystals - Open Access Crystallography Journal. 2019 Dec 5;9(12):644. doi: 10.3390/cryst9120644

Ivachtchenko AV, Mitkin OD, Kravchenko DV, Kovalenko SM, Shishkina SV, Bunyatyan ND et al. Synthesis, X-ray crystal structure, Hirshfeld surface analysis, and molecular docking study of novel inhibitor of hepatitis B: methyl 4-fluoro-3-(morpholinosulfonyl)benzo[b]thiophene-2-carboxylate. Heliyon. 2019 Nov;5(11):e02738. doi: 10.1016/j.heliyon.2019.e02738

Stadler M, Monticelli S, Seidel T, Luger D, Salzer I, Boehm S et al. Design, Synthesis, and Pharmacological Evaluation of Novel β2/3 Subunit-Selective γ-Aminobutyric Acid Type A (GABA _A ) Receptor Modulators. Journal of Medicinal Chemistry. 2019 Oct 1;62(1):317-341. doi: 10.1021/acs.jmedchem.8b00859

Bauer L, Manganaro R, Zonsics B, Strating JRPM, El Kazzi P, Lorenzo Lopez M et al. Fluoxetine Inhibits Enterovirus Replication by Targeting the Viral 2C Protein in a Stereospecific Manner. ACS infectious diseases. 2019 Sept 13;5(9):1609-1623. doi: 10.1021/acsinfecdis.9b00179

Bryant SD , Langer T, Martini R, Ramilo-Gomes F, Guedes RC, Marques MM. Structure and ligand-based design of promising small molecule EZH2 inhibitors. American Chemical Society. Abstracts of Papers (at the National Meeting). 2019 Aug 25;258.

ivashchenko AV, Mitkin OD, Kravchenko DV, Kuznetsova IV, Kovalenko SM, Bunyatyan ND et al. 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. Molecular Crystals and Liquid Crystals. 2019 Aug;9(8):379. 379. doi: 10.3390/cryst9080379

Rotolo RA, Dragacevic V, Kalaba P, Urban E, Zehl M, Roller A et al. The Novel Atypical Dopamine Uptake Inhibitor (S)-CE-123 Partially Reverses the Effort-Related Effects of the Dopamine Depleting Agent Tetrabenazine and Increases Progressive Ratio Responding. Frontiers in Pharmacology. 2019 Jun 28;10:682. doi: 10.3389/fphar.2019.00682

Chen X, Garon A, Wieder M, Houtman MJC, Zangerl-Plessl EM, Langer T et al. Computational identification of novel Kir6 channel inhibitors. Frontiers in Pharmacology. 2019 May;10:549. doi: 10.3389/fphar.2019.00549

Monticelli S, Holzer W, Langer T, Roller A, Olofsson B, Pace V. Sustainable Asymmetric Organolithium Chemistry: Enantio- and Chemoselective Acylations through Recycling of Solvent, Sparteine, and Weinreb "Amine". ChemSusChem. 2019 Mar 21;12(6):1147-1154. doi: 10.1002/cssc.201802815

Monticelli S, Urban E , Langer T, Holzer W, Pace V. A Straightforward Homologation of Carbon Dioxide with Magnesium Carbenoids en Route to α-Halocarboxylic Acids. Advanced Synthesis & Catalysis. 2019 Mar 5;361(5):1001-1006. doi: 10.1002/adsc.201801614

Ielo L, Touqeer S, Roller A, Langer T, Holzer W, Pace V. Telescoped, Divergent, Chemoselective C1 and C1-C1 Homologation of Imine Surrogates: Access to Quaternary Chloro- and Halomethyl-Trifluoromethyl Aziridines. Angewandte Chemie (International Edition). 2019 Feb 18;58(8):2479-2484. doi: 10.1002/anie.201812525

Monticelli S, Colella M, Pillari V, Tota A, Langer T, Holzer W et al. Modular and Chemoselective Strategy for the Direct Access to α-Fluoroepoxides and Aziridines via the Addition of Fluoroiodomethyllithium to Carbonyl-Like Compounds. Organic Letters. 2019 Jan 18;21(2):584-588. doi: 10.1021/acs.orglett.8b04001

Singh N, Scalise M, Galluccio M, Wieder M, Seidel T , Langer T et al. Discovery of Potent Inhibitors for the Large Neutral Amino Acid Transporter 1 (LAT1) by Structure-Based Methods. International Journal of Molecular Sciences. 2019 Jan;20(1):27. doi: 10.3390/ijms20010027

Kainrad T, Hunold S, Seidel T , Langer T. LigandScout Remote: A new User-Friendly Interface for HPC and Cloud Resources. Journal of Chemical Information and Modeling. 2019 Jan;59(1):31-37. doi: 10.1021/acs.jcim.8b00716

GRADE-ing Protein-Ligand Interactions

Fellinger, C. (Speaker), Seidel, T. (Contributor), Merget, B. (Contributor), Schröder, C. (Contributor), Schleifer, K.-J. (Contributor) & Langer, T. (Contributor)

19 Jun 2025

Activity: Talks and presentations › Talk or oral contribution › Science to Science

Binding affinity estimation using GRADE

Fellinger, C. (Speaker), Seidel, T. (Contributor), Merget, B. (Contributor), Schröder, C. (Contributor), Schleifer, K.-J. (Contributor) & Langer, T. (Contributor)

23 Mar 2025

Activity: Talks and presentations › Talk or oral contribution › Science to Science