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

Langer T. Pharmacophore Modeling: Approaches for Advanced Molecular Design and Profiling of Compounds. 2023.

Heider J, Kilian J, Garifulina A, Hering S, Langer T , Seidel T. Apo2ph4: A Versatile Workflow for the Generation of Receptor-based Pharmacophore Models for Virtual Screening. Journal of Chemical Information and Modeling. 2023 Jan 9;63(1):101-110. doi: 10.1021/acs.jcim.2c00814

Simeone X, Ernst M, Seidel T, Heider J, Enz D, Monticelli S et al. Novel alpha6 preferring GABA-A receptor ligands based on loreclezole. European Journal of Medicinal Chemistry. 2022 Dec 15;244:114780. doi: 10.1016/j.ejmech.2022.114780

Ielo L, Patamia V, Citarella A, Efferth T, Shahhamzehei N, Schirmeister T et al. Novel Class of Proteasome Inhibitors: In Silico and In Vitro Evaluation of Diverse Chloro(trifluoromethyl)aziridines. International Journal of Molecular Sciences. 2022 Oct;23(20):12363. doi: 10.3390/ijms232012363

Sanachai K, Mahalapbutr P, Hengphasatporn K, Shigeta Y, Seetaha S, Tabtimmai L et al. Pharmacophore-Based Virtual Screening and Experimental Validation of Pyrazolone-Derived Inhibitors toward Janus Kinases. ACS Omega. 2022 Sept 20;7(37):33548-33559. doi: 10.1021/acsomega.2c04535

Bryant SD , Seidel T, Heider J, Langer T, Ernst M, Kohlbacher SM et al. The NeuroDeRisk toolbox: DeRisking chemical structures for neurotoxic adverse outcomes. Toxicology Letters. 2022 Sept 1;368(Suppl.1):S82-S82. doi: 10.1016/j.toxlet.2022.07.239, 10.1016/j.toxlet.2022.07.239

Kohlbacher SM, Schmid M, Seidel T , Langer T. Applications of the Novel Quantitative Pharmacophore Activity Relationship Method QPhAR in Virtual Screening and Lead-Optimisation. Pharmaceuticals. 2022 Sept;15(9):1122. doi: 10.3390/ph15091122

Kirchweger B, Wasilewicz A, Fischhuber K, Tahir A, Chen Y , Heiss EH et al. In Silico and In Vitro Approach to Assess Direct Allosteric AMPK Activators from Nature. Planta Medica. 2022 Aug;88(09/10):794-804. doi: 10.1055/a-1797-3030

Kouhnavardi S, Ecevitoglu A, Dragacevic V, Sanna F, Arias-Sandoval E, Kalaba P et al. A Novel and Selective Dopamine Transporter Inhibitor, (S)-MK-26, Promotes Hippocampal Synaptic Plasticity and Restores Effort-Related Motivational Dysfunctions. Biomolecules. 2022 Jul;12(7):881. doi: 10.3390/biom12070881

Bampali K, Koniuszewski F, Silva LL, Rehman S, Vogel FD , Seidel T et al. Tricyclic antipsychotics and antidepressants can inhibit α5-containing GABA_A receptors by two distinct mechanisms. British Journal of Pharmacology. 2022 Jul;179(14):3675-3692. doi: 10.1111/bph.15807

Sanachai K, Somboon T, Wilasluck P, Deetanya P, Wolschann P , Langer T et al. Identification of repurposing therapeutics toward SARS-CoV-2 main protease by virtual screening. PLoS ONE. 2022 Jun 30;17(6):e0269563. doi: 10.1371/journal.pone.0269563

Seidel T , Permann C , Wieder O, Kohlbacher SM, Langer T. High-Quality Conformer Generation with CDPKit/CONFORT: Algorithm and Performance Assessment. 2022 May 13. doi: 10.21203/rs.3.rs-1597257/v1

Koniuszewski F, Vogel FD, Bampali K, Fabjan J, Seidel T, Scholze P et al. Molecular Mingling: Multimodal Predictions of Ligand Promiscuity in Pentameric Ligand-Gated Ion Channels. Frontiers in Molecular Biosciences. 2022 May 9;9:860246. doi: 10.3389/fmolb.2022.860246

Mayr F, Wieder M, Wieder O , Langer T. Improving Small Molecule pKa Prediction Using Transfer Learning With Graph Neural Networks. Frontiers in Chemistry. 2022 May 1;10:866585. doi: 10.1101/2022.01.20.476787, 10.3389/fchem.2022.866585, 10.3389/fchem.2022.866585

Kilian J, Millard M, Ozenil M, Krause D, Ghaderi K, Holzer W et al. Synthesis, Biological Evaluation, and Docking Studies of Antagonistic Hydroxylated Arecaidine Esters Targeting mAChRs. Molecules. 2022 May;27(10):3173. doi: 10.3390/molecules27103173

Kilian J, Ozenil M, Millard M, Fürtös D, Maisetschläger V, Holzer W et al. Design, Synthesis, and Biological Evaluation of 4,4’-Difluorobenzhydrol Carbamates as Selective M1 Antagonists. Pharmaceuticals. 2022 Feb;15(2):248. doi: 10.3390/ph15020248

Pranweerapaiboon K, Garon A, Seidel T, Janta S, Plubrukarn A, Chaithirayanon K et al. In vitro and in silico studies of holothurin A on androgen receptor in prostate cancer. Journal of biomolecular structure & dynamics. 2022;40(23):12674-12682. Epub 2021 Sept 13. doi: 10.1080/07391102.2021.1975562

Gyertyan I, Lubec J, Ernyey AJ, Gerner C, Kassai F, Kalaba P et al. Cognitive profiling and proteomic analysis of the modafinil analogue S-CE-123 in experienced aged rats. Scientific Reports. 2021 Dec 14;11(1):23962. 23962. doi: 10.1038/s41598-021-03372-y

Permann C , Seidel T , Langer T. Greedy 3-point search (G3ps)—a novel algorithm for pharmacophore alignment. Molecules. 2021 Nov 27;26(23):7201. doi: 10.3390/molecules26237201

Bryant S , Langer T. Successful Drug Discovery, Volume 5. Edited by János Fischer, Christian Klein, and Wayne E. Childers. ChemMedChem. 2021 Nov 16;17(9). doi: 10.1002/cmdc.202100705

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