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

Perez Gonzalez ER, Reck B, Kalaba P, Langer T, Leban J, Lubec G. Process Development and Scale-Up of a Novel Atypical DAT Inhibitor ( S)-CE-123. ACS Omega. 2024;9(11):12976-12983. doi: 10.1021/acsomega.3c09348

Millard M, Kilian J, Ozenil M, Mogeritsch M, Schwingenschlögl-Maisetschläger V, Holzer W et al. Design, synthesis and preclinical evaluation of muscarine receptor antagonists via a scaffold-hopping approach. European Journal of Medicinal Chemistry. 2023 Dec 15;262:115891. doi: 10.1016/j.ejmech.2023.115891

Langer T. Next Generation Pharmacophore Modeling: Concepts and Applications. 2023.

Langer T. Next Generation Pharmacophore Modeling: Tools and Applications. 2023.

Bampali K, Koniuszewski F, Vogel FD, Fabjan J, Andronis C, Lekka E et al. GABA_A receptor-mediated seizure liabilities: a mixed-methods screening approach. Cell Biology and Toxicology. 2023 Dec;39(6):2793-2819. doi: 10.1007/s10565-023-09803-y

Spreitzer I, Keife J, Strasser T, Kalaba P, Lubec J, Neuhaus W et al. Pharmacokinetics of Novel Dopamine Transporter Inhibitor CE-123 and Modafinil with a Focus on Central Nervous System Distribution. International Journal of Molecular Sciences. 2023 Dec;24(23):16956. doi: 10.3390/ijms242316956

Langer T. Pharmacophores: Versatile Tools for Computer-Assisted Molecular Design. 2023.

Gehringer M, Pape F, Méndez M, Barbie P, Unzue Lopez A, Lefranc J et al. Back in Person: Frontiers in Medicinal Chemistry 2023. ChemMedChem. 2023 Oct 4;18(19):e202300344. doi: 10.1002/cmdc.202300344

Seidel T , Permann C , Wieder O, Kohlbacher SM, Langer T. High-Quality Conformer Generation with CONFORGE: Algorithm and Performance Assessment. Journal of Chemical Information and Modeling. 2023 Sept 11;63(17):5549-5570. doi: 10.1021/acs.jcim.3c00563

Langer T. The Versatile World of Pharmacophore Models. 2023.

Kalaba P, Pacher K, Neill PJ, Dragacevic V, Zehl M, Wackerlig J et al. Chirality Matters: Fine-Tuning of Novel Monoamine Reuptake Inhibitors Selectivity through Manipulation of Stereochemistry. Biomolecules. 2023 Sept;13(9):1415. doi: 10.3390/biom13091415

Malik M, Senatore R, Langer T, Holzer W, Pace V. Base-mediated homologative rearrangement of nitrogen-oxygen bonds of N-methyl-N-oxyamides. Chemical Science. 2023 Aug 29;14(37):10140-10146. doi: 10.1039/d3sc03216g

Pojtanadithee P, Hengphasatporn K, Suroengrit A, Boonyasuppayakorn S, Wilasluck P, Deetanya P et al. Identification of Promising Sulfonamide Chalcones as Inhibitors of SARS-CoV-2 3CL^pro through Structure-Based Virtual Screening and Experimental Approaches. Journal of Chemical Information and Modeling. 2023 Aug 28;63:5244-5258. doi: 10.1021/acs.jcim.3c00663

Langer T. Next Generation Pharmacophore Modeling for Advanced Molecular Design and Risk Assessment. 2023.

Langer T. 3D Feature-based Pharmacophores: Model Building and Applications (1). 2023.

Langer T. 3D Feature-based Pharmacophores: Model Building and Applications (2). 2023.

Langer T. Merging Computational and Medicinal Chemistry: Maurizio Botta as a Role Model. 2023.

Lubec J, Hussein AM, Kalaba P, Feyissa DD, Arias-Sandoval E, Cybulska-Klosowicz A et al. Low-Affinity/High-Selectivity Dopamine Transport Inhibition Sufficient to Rescue Cognitive Functions in the Aging Rat. Biomolecules. 2023 Mar 3;13(3):467. doi: 10.3390/biom13030467

Langer T. 3D-Pharmacophoires: Versatile Tools for Computer Assisted Molecular Design. 2023.

Vaksler Y, Hryhoriv HV, Ivanov VV, Kovalenko SM, Georgiyants VA, Langer T. Synthesis, analysis of molecular and crystal structures, estimation of intermolecular interactions and biological properties of 1-benzyl-6-fluoro-3-[5-(4-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]-7-(piperidin-1-yl)quinolin-4-one. Acta Crystallographica Section E: Crystallographic Communications. 2023 Feb 21;79(3):192-200. doi: 10.1107/S2056989023001305

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