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

Muchtaridi M, Yusuf M, Syahidah HN, Subarnas A, Zamri A, Bryant S et al. 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. Advances and Applications in Bioinformatics and Chemistry. 2019;12:33-43. doi: 10.2147/AABC.S217205

Langer T. Pharmacophore Modeling: How to Enhance Virtual Screening Efficacy in Early Drug Discovery. 2019.

Seidel T, Schuetz DA, Garon A, Langer T. The Pharmacophore Concept and Its Applications in Computer-Aided Drug Design. In Progress in the Chemistry of Organic Natural Products. Springer Science and Business Media Deutschland GmbH. 2019. p. 99-141. (Progress in the Chemistry of Organic Natural Products, Vol. 110). doi: 10.1007/978-3-030-14632-0_4

Karpina VR, Kovalenko SS, Kovalenko SM, Zaremba OV, Silin OV, Langer T. The synthesis and biological assessment of [[1,2,4]triazolo[4,3-a]pyridine-3-yl]acetamides with an 1,2,4-oxadiazol cycle in positions 6, 7 and 8. Žurnal orhaničnoï ta farmacevtyčnoï chimiï. 2019;17(1):28-35. doi: 10.24959/ophcj.19.965

Langer T, Kubin A, Furtmüller PG, Schuster D, Zederbauer M. Pharmacophore-based discovery of 2-(phenylamino)aceto-hydrazides as potent eosinophil peroxidase (EPO) inhibitors. Journal of Enzyme Inhibition and Medicinal Chemistry. 2018 Oct 4;33(1):1529-1536. doi: 10.1080/14756366.2018.1512598

Touqeer S, Castoldi L, Langer T, Holzer W, Pace V. Homologation of halostannanes with carbenoids: a convenient and straightforward one-step access to α-functionalized organotin reagents. Chemical Communications. 2018 Sept 6;54(72):10112-10115. doi: 10.1039/c8cc04786c

Schuetz DA, Seidel T, Garon A, Martini R, Körbel M, Ecker GF et al. GRAIL: GRids of phArmacophore Interaction fieLds. Journal of Chemical Theory and Computation. 2018 Sept;14(9):4958–4970. Epub 2018 Aug 3. doi: 10.1021/acs.jctc.8b00495

Langer T, Spreitzer H, Ditfurth T, Stemer G, Atkinson J. Pharmacy Practice and Education in Austria. Pharmacy. 2018 Sept;6(3):55. doi: 10.3390/pharmacy6030055

Siebert DCB, Wieder M, Schlener L, Scholze P, Boresch S , Langer T et al. SAR-Guided Scoring Function and Mutational Validation Reveal the Binding Mode of CGS-8216 at the α1+/γ2- Benzodiazepine Site. Journal of Chemical Information and Modeling. 2018 Aug 27;58(8):1682-1696. doi: 10.1021/acs.jcim.8b00199

Kirchweger B, Müller Kratz J, Ladurner A, Grienke U , Langer T , Dirsch V et al. In silico workflow for the discovery of natural products activating the G protein-coupled bile acid receptor 1. Frontiers in Chemistry. 2018 Jul 2;6:242. doi: 10.3389/fchem.2018.00242

Poli G, Seidel T , Langer T. Conformational sampling of small molecules with iCon: Performance assessment in comparison with OMEGA. Frontiers in Chemistry. 2018 Jun 19;6:229. doi: 10.3389/fchem.2018.00229

Kristofova M, Aher YD, Ilic M, Radoman B, Kalaba P, Dragacevic V et al. A daily single dose of a novel modafinil analogue CE-123 improves memory acquisition and memory retrieval. Behavioural Brain Research. 2018 May 2;343:83-94. doi: 10.1016/j.bbr.2018.01.032

Ortuso F, Bagetta D, Maruca A, Talarico C, Bolognesi ML, Haider N et al. The Mu.Ta.Lig. Chemotheca: A Community-Populated Molecular Database for Multi-Target Ligands Identification and Compound-Repurposing. Frontiers in Chemistry. 2018 Apr 19;6:130. doi: 10.3389/fchem.2018.00130

Poli G, Lapillo M, Granchi C, Caciolla J, Mouawad N, Caligiuri I et al. Binding investigation and preliminary optimisation of the 3-amino-1,2,4-triazin-5(2H)-one core for the development of new Fyn inhibitors. Journal of Enzyme Inhibition and Medicinal Chemistry. 2018 Jan 1;33(1):956-961. doi: 10.1080/14756366.2018.1469017

Langer T. Adventures in Computer-Aided Molecular Design. 2018.

Langer T. "Dynamic Pharmacophores: A New Way to Enhance Virtual Screening Efficacy in Early Drug Discovery". 2018.

Langer T. Generation of Structure-based Pharmacophore Models in Protein Binding Sites Obtained from Molecular Dynamics Sumulations. 2018.

Langer T. In silico Tools for early Phase side effect profiling and off target prediction of potential drug candidates. 2018.

Langer T. MD Derived Feature-based Pharmacophores: A New Way to Enhance Virtual Screening Efficacy in Multitarget Drug Discovery. 2018.

Langer T. Pharmacophores-based Analysis of MD Trajectories: Towards Understanding KD of Protein Ligands. 2018.

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