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/

Division of Pharmaceutical Chemistry
Cheminformatics Research Group
Room 2D306

Winter term 2026

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 2026

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

950279 VO VO Pharmazeutische Chemie einschließlich Arzneimittelanalyse

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

Castoldi L, Holzer W, Langer T, Pace V. Evidence and isolation of tetrahedral intermediates formed upon the addition of lithium carbenoids to Weinreb amides and N-acylpyrroles. Chemical Communications. 2017;53(68):9498-9501. doi: 10.1039/C7CC05215D

Stular T, Lesnik S, Rozman K, Schink J, Zdouc M, Ghysels A et al. Discovery of Mycobacterium tuberculosis InhA Inhibitors by Binding Sites Comparison and Ligands Prediction. Journal of Medicinal Chemistry. 2016 Nov 29;59(24):11069-11078. doi: 10.1021/acs.jmedchem.6b01277

Monticelli S, Parisi G, Rui M, de la Vega-Hernandez K, Murgia I, Senatore R et al. The Use of the Comins-Meyers Amide in Synthetic Chemistry: an Overview. Natural Product Communications: an international journal for communications and reviews. 2016 Nov;11(11):1729-1732.

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 DJ, Morice C, Florence C, Gay J, Langer T, Frantz MC 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: 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 α_iIbβ₃ 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

Binding Affinity Estimation using GRADE

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

14 Sept 2025

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

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