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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
121 - 140 out of 216
Saroja SR, Aher YD, Kalaba P, Aher NY, Zehl M, Korz V et al. A novel heterocyclic compound targeting the dopamine transporter improves performance in the radial arm maze and modulates dopamine receptors D1-D3. Behavioural Brain Research. 2016 Oct 1;312:127-137. doi: 10.1016/j.bbr.2016.06.011
Wieder M, Perricone U, Seidel T, Langer T. Pharmacophore models derived from molecular dynamics simulations of protein-ligand complexes: A case study. Natural Product Communications. 2016 Oct;11(10):1499-1504. doi: 10.1177/1934578x1601101019
Pace V, De La Vega-Hernández K, Urban E, Langer T. Chemoselective Schwartz Reagent Mediated Reduction of Isocyanates to Formamides. Organic Letters. 2016 Jun 3;18(11):2750-2753. doi: 10.1021/acs.orglett.6b01226
Laurence D-J, Morice C, Florence C, Gay J, Langer T, Frantz M-C et al. Fragment pharmacophore-based in silico Screening: a powerful Approach for efficient lead discovery. MedChemComm. 2016 Mar 1;7(3):506-511. Epub 2016 Jan 4. doi: 10.1039/C5MD00444F
Sase A, Aher YD, Saroja SR, Ganesan MK, Sase S, Holy M et al. A heterocyclic compound CE-103 inhibits dopamine reuptake and modulates dopamine transporter and dopamine D1-D3 containing receptor complexes. Neuropharmacology. 2016 Mar;102:186-196. doi: 10.1016/j.neuropharm.2015.07.039
Wieder M, Perricone U, Seidel T, Boresch S, Langer T. Comparing pharmacophore models derived from crystal structures and from molecular dynamics simulations. Monatshefte für Chemie. 2016 Mar;147(3):553-563. doi: 10.1007/s00706-016-1674-1
Wieder M, Perricone U, Boresch S, Seidel T, Langer T. Evaluating the stability of pharmacophore features using molecular dynamics simulations. Biochemical and Biophysical Research Communications. 2016 Feb 12;470(3):685-689. doi: 10.1016/j.bbrc.2016.01.081
Pace V, Castoldi L, Mamuye AD, Langer T, Holzer W. Chemoselective Addition of Halomethyllithiums to Functionalized Isatins: A Straightforward Access to Spiro-Epoxyoxindoles. Advanced Synthesis & Catalysis. 2016 Jan 21;358(2):172-177. doi: 10.1002/adsc.201500840
Pace V, Murgia I, Westermayer S, Langer T, Holzer W. Highly efficient synthesis of functionalized alpha-oxyketones via Weinreb amides homologation with alpha-oxygenated organolithiums. Chemical Communications. 2016;52(48):7584-7587. doi: 10.1039/c6cc03532a
Pace V, Castoldi L, Monticelli S, Safranek S, Roller A, Langer T et al. A Robust, Eco-Friendly Access to Secondary Thioamides through the Addition of Organolithium Reagents to Isothiocyanates in Cyclopentyl Methyl Ether (CPME). Chemistry: A European Journal. 2015 Nov 20;21(52):18966-18970. doi: 10.1002/chem.201504247
Luger D, Poli G, Wieder M, Stadler M, Ke S, Ernst M et al. Identification of the putative binding pocket of valerenic acid on GABAA receptors using docking studies and site-directed mutagenesis. British Journal of Pharmacology. 2015 Nov;172(22):5403-5413. doi: https://doi.org/10.1111/bph.13329, 10.1111/bph.13329
Polishchuk PG, Samoylenko GV, Khristova TM, Krysko OL, Kabanova TA, Kabanov VM et al. Design, Virtual Screening, and Synthesis of Antagonists of αiIbβ3 as Antiplatelet Agents. Journal of Medicinal Chemistry. 2015 Oct 8;58(19):7681-7694. doi: 10.1021/acs.jmedchem.5b00865
Grienke U, Kaserer T, Pfluger F, Mair CE, Langer T, Schuster D et al. Accessing biological actions of Ganoderma secondary metabolites by in silico profiling. Phytochemistry. 2015 Jun;114:114-124. doi: 10.1016/j.phytochem.2014.10.010
Grienke U, Kaserer T, Pfluger F, Mair CE, Schmidtke M, Langer T et al. In silico pharmacological profiling of Ganoderma secondary metabolites to unravel the polypharmacological nature of Reishi. Planta Medica: natural products and medicinal plant research. 2015;81.
Kellici T, Ntountaniotis D, Vrontaki E, Liapakis G, Moutevelis-Minakakis P, Kokotos G et al. Rational Drug Design Paradigms: The Odyssey for Designing Better Drugs. Combinatorial Chemistry & High Throughput Screening. 2015;18(3):238-256. doi: 10.2174/1386207318666150305125638
Rechfeld F, Gruber P, Kirchmair J, Boehler M, Hauser N, Hechenberger G et al. Thienoquinolines as novel disruptors of the PKCε/RACK2 protein-protein interaction. Journal of Medicinal Chemistry. 2014 Apr 24;57(8):3235-3246. doi: 10.1021/jm401605c
Bryant S, Langer T. Data Mining Using Ligand Profiling and Target Fishing. In Hoffman R, Gohier A, Pospisil P, editors, Data Mining in Drug Discovery. Wiley VCH. 2013. (Methods and Principles in Medicinal Chemistry). doi: 10.1002/9783527655984
Langer T, Bryant SD. Computational methods for drug target profiling and polypharmacology. In In Silico Drug Discovery and Design. Future Science. 2013 doi: 10.4155/EBO.13.417
Koulouridi E, Langer T, Bryant SD, Mavromoustakos T. Rational approach for the discovery of lead-compounds using pharmacophore models. The use of Drug Databank zinc in virtual screening. Pharmakeutikē. 2013.
Scior T, Bender A, Tresadern G, Medina-Franco JL, Martinez-Mayorga K, Langer T et al. Recognizing Pitfalls in Virtual Screening: A Critical Review. Journal of Chemical Information and Modeling. 2012 Apr;52(4):867-881. doi: 10.1021/ci200528d
121 - 140 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