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Univ.-Prof. Mag. Dr. Thierry Langer
Thierry Langer
T: +43-1-4277-55103
https://cheminfo.univie.ac.at/people/principal-investigator/thierry-langer/
Summer term 2024
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
322022 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 2023
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
322022 VU Ausgewählte Kapitel aus der pharmazeutisch-chemischen Forschung - M13
323001 VU Introduction to Drug Discovery and Preclinical Drug Development - MPS1
323003 VO Basics of Drug Discovery - MPS2
323004 VO Drug Discovery - MPS3
Summer term 2023
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
322022 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
61 - 80 out of 216
Ibric A, Battisti V, Deckardt S, Haller AV, Lee C, Prötsch C et al. A-ring and E-ring modifications of the cytotoxic alkaloid Luotonin A: Synthesis, computational and biological studies. Bioorganic & Medicinal Chemistry. 2020 May 1;28(9):115443. doi: https://doi.org/10.1016/j.bmc.2020.115443
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 Sep 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
Battisti V, Langer T, Leyssen P. A novel class of chikungunya virus small molecule inhibitors that targets the viral capping machinery. 2020.
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 …. 2020.
Battisti V, Moesslacher J, Langer T, Urban E, Pürstinger G, Delang L et al.. Identification of 2-(4-(Phenylsulfonyl) piperazine-1-yl) pyrimidine Analogues as Novel Inhibitors of Chikungunya Virus. 2020.
Langer T. The virtual screening application for searching potential antiviral agents to treat COVID-19 disease. 2020.
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
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
Langer T, Ivashchenko, Mitkin, kravchenko DV, Shishkina, Bunyatyan 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. 2019.
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 Sep 13;5(9):1609-1623. doi: 10.1021/acsinfecdis.9b00179
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
61 - 80 out of 216

Towards Next Generation Pharmacophore Modeling: Concepts and Applications

Thierry Langer (Speaker)

21 Dec 2022

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

Pharmacophore Models: Useful Tools for Bio-Active Compound Identification, Optimization, and Profiling

Thierry Langer (Speaker)

15 Dec 2022

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

Pharmacophores: Versatile Tools for Computer-Assisted Molecular Design

Thierry Langer (Speaker)

18 Jul 2022

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

Approaches to Next Generations Pharmacophore Modeling

Thierry Langer (Speaker)

29 Jun 2022

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

Pharmacophores: Versatile Tools for Computer-Assisted Molecular Design

Thierry Langer (Speaker)

25 May 2022

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

In silico and in vitro Approach to Assess Direct Allosteric AMPK Activators from Nature

Benjamin Kirchweger (Speaker), Andreas Wasilewicz (Contributor), Katrin Fischhuber (Contributor), Ammar Tahir (Contributor), Ya Chen (Contributor), Elke Heiß (Contributor), Thierry Langer (Contributor), Johannes Kirchmair (Contributor) & Judith Maria Rollinger (Contributor)

20 May 2022

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

Academic Drug Discovery: Pittfalls and Bottlenecks

Thierry Langer (Speaker)

11 May 2022

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

A Computational Approach to Identify Potential Novel Inhibitors Against The Coronavirus SARS-CoV-2

Ernst Urban (Speaker), Thierry Langer (Speaker), Thomas Seidel (Speaker), Oliver Wieder (Speaker) & Arthur Garon (Speaker)

28 Jul 2020

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

New Approaches to Analyze Big Data: The Molecular Dynamics Trajectory Case

Thierry Langer (Speaker)

28 Nov 2019

Activity: Talks and presentations › Talk or oral contribution › Other

Towards Next Generation Pharmacophores: Concepts and Applications

Thierry Langer (Speaker)

24 Nov 2019

Activity: Talks and presentations › Talk or oral contribution › Other

Adventures in Computer-Assisted Molecular Design

Thierry Langer (Speaker)

16 Sep 2019

Activity: Talks and presentations › Talk or oral contribution › Other

Towards Next Generation Pharmacophores: Concepts and Applications

Thierry Langer (Speaker)

21 May 2019

Activity: Talks and presentations › Talk or oral contribution › Other

Towards next Generation Pharmacophores: Concepts and Application

Thierry Langer (Speaker)

20 Mar 2019

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

Towards Next Generation Pharmacophores: Concepts and Applications

Thierry Langer (Speaker)

20 Mar 2019

Activity: Talks and presentations › Talk or oral contribution › Other

Pharmacophore Modelling: How to Enhance Virtual Screening Efficacy in Early Drug Discovery

Thierry Langer (Speaker)

23 Jan 2019

Activity: Talks and presentations › Talk or oral contribution › Other

Discovery of new GPBAR1 agonists by combined in silico - in vitro screening

Benjamin Kirchweger (Speaker), Jadel Müller Kratz (Contributor), Angela Ladurner (Contributor), Ulrike Grienke (Contributor), Verena Dirsch (Contributor), Thierry Langer (Contributor) & Judith Maria Rollinger (Contributor)

26 Aug 2018

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

Pharmacophore-based Analysis of MD Trajectories: Towards Understanding KD of Protein Ligands

Thierry Langer (Speaker)

5 Jul 2018

Activity: Talks and presentations › Talk or oral contribution › Other

Pharmacophore-based Analysis of MD Trajectories: Towards Understanding KD of Protein Ligands

Thierry Langer (Speaker)

2 Jul 2018

Activity: Talks and presentations › Talk or oral contribution › Other

Adventures in Computer-Assisted Molecular Design

Thierry Langer (Speaker)

29 Jun 2018

Activity: Talks and presentations › Talk or oral contribution › Other

Generation of Structure-based Pharmacophore Models in Protein Binding Sites Obtained from Molecular Dynamics Simulations

Thierry Langer (Speaker)

29 May 2018

Activity: Talks and presentations › Talk or oral contribution › Other

Pharmacophore-based Analysis of MD Trajectories: Towards Understanding KD of Protein Ligands

Thierry Langer (Speaker)

22 May 2018

Activity: Talks and presentations › Talk or oral contribution › Other

In silico tools for early phase side effect profiling and off target prediction of potential drug candidates

Thierry Langer (Speaker)

5 Apr 2018

Activity: Talks and presentations › Talk or oral contribution › Other

MD Derived Feature-based Pharmacophores: A New Way to Enhance Virtual Screening Efficacy in Multitarget Drug Discovery

Thierry Langer (Speaker)

16 Mar 2018

Activity: Talks and presentations › Talk or oral contribution › Other

Dynamic Pharmacophores: A New Way to Enhance Virtual Screening Efficacy in Early Drug Discovery

Thierry Langer (Speaker)

28 Jan 2018

Activity: Talks and presentations › Talk or oral contribution › Other

Dynamic Pharmacophores: A New Way to Enhance Virtual Screening Efficacy in Early Drug Discovery

Thierry Langer (Speaker)

16 Nov 2017

Activity: Talks and presentations › Talk or oral contribution › Other

In Silico Tools for Early Drug Discovery

Thierry Langer (Speaker)

14 Nov 2017

Activity: Talks and presentations › Talk or oral contribution › Other

Metabolism & Bioisosteres in Medicinal Chemistry

Thierry Langer (Speaker)

19 Oct 2017

Activity: Talks and presentations › Talk or oral contribution › Other

Activity Profiling & Toxicity Prediction Using Inte:Ligand's LigandScout KNIME Extensions

Thierry Langer (Speaker)

9 Oct 2017

Activity: Talks and presentations › Talk or oral contribution › Other

Adventures in Computer-Aided Molecular Design

Thierry Langer (Speaker)

12 Sep 2017

Activity: Talks and presentations › Talk or oral contribution › Other

Towards next Generation Pharmacophore Models: Concepts and Applications

Thierry Langer (Speaker)

25 Aug 2017

Activity: Talks and presentations › Talk or oral contribution › Other

3D Pharmacophores for Hit and Lead Identification: Current and Future Aspects

Thierry Langer (Speaker)

26 May 2017

Activity: Talks and presentations › Talk or oral contribution › Other

Dynamic Pharmacophore and the Common Hits Approach: A Novel Method for Enhancing Virtual Screening Efficiency

Thierry Langer (Speaker)

23 May 2017

Activity: Talks and presentations › Talk or oral contribution › Other

Dynamic pharmacophores and the common hits approach: a novel method for enhancing virtual screening efficiency

Thierry Langer (Speaker)

23 May 2017

Activity: Talks and presentations › Talk or oral contribution › Other

3D Pharmacophores for Hit and Lead Identification: Current and Future Aspects

Thierry Langer (Speaker)

26 Apr 2017

Activity: Talks and presentations › Talk or oral contribution › Other

Pharmacophore Approaches for Polypharmacoliogical Profiling of Compound Libaries

Thierry Langer (Speaker)

8 Feb 2017

Activity: Talks and presentations › Talk or oral contribution › Other

Introduction to Ligand-Based Drug Design: Pharmacophore Methods

Thierry Langer (Speaker)

18 Jan 2017

Activity: Talks and presentations › Talk or oral contribution › Other

Seminarvortrag

Thierry Langer (Speaker)

12 Dec 2016

Activity: Talks and presentations › Talk or oral contribution › Other

Department of Pharmaceutical Sciences

Head

Josef-Holaubek-Platz 2 (UZA II)
1090 Wien
Room: 2D306

T: +43-1-4277-55103

thierry.langer@univie.ac.at