Einzelansicht Langer

[Back]

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

Perricone U, Wieder M, Seidel T , Langer T, Padova A. The Use of Dynamic Pharmacophore in Computer-Aided Hit Discovery: A Case Study. In Mavromoustakos T, Kellici TF, editors, Rational Drug Design: Methods and Protocols. Vol. 1824. Springer Nature. 2018. p. 317-333. (Methods in Molecular Biology). doi: 10.1007/978-1-4939-8630-9

Muchtaridi M, Syahidah HN, Subarnas A, Yusuf M, Bryant SD , Langer T. Molecular Docking and 3D-Pharmacophore Modeling to Study the Interactions of Chalcone Derivatives with Estrogen Receptor Alpha. Pharmaceuticals. 2017 Dec;10(4):81. doi: 10.3390/ph10040081

Nikiforuk A, Kalaba P, Ilic M, Korz V, Dragacevic V, Wackerlig J et al. A Novel Dopamine Transporter Inhibitor CE-123 Improves Cognitive Flexibility and Maintains Impulsivity in Healthy Male Rats. Frontiers in Behavioral Neuroscience . 2017 Nov 27;11:222. doi: 10.3389/fnbeh.2017.00222

Kalaba P, Aher NY, Ilic M, Dragacevic V, Wieder M, Miklosi AG et al. Heterocyclic Analogues of Modafinil as Novel, Atypical Dopamine Transporter Inhibitors. Journal of Medicinal Chemistry. 2017 Nov 23;60(22):9330-9348. doi: 10.1021/acs.jmedchem.7b01313

Parisi G, Monticelli S, Holzer W, Langer T, Degennaro L, Pace V et al. Exploiting a "Beast" in Carbenoid Chemistry: Development of a Straightforward Direct Nucleophilic Fluoromethylation Strategy. Journal of the American Chemical Society. 2017 Oct 4;139(39):13648–13651. doi: 10.1021/jacs.7b07891

Pace V, Castoldi L, Mazzeo E, Rui M, Langer T, Holzer W. Efficient Access to All-Carbon Quaternary and Tertiary α-Functionalized Homoallyl-type Aldehydes from Ketones. Angewandte Chemie (International Edition). 2017 Oct 2;56(41):12677-12682. doi: 10.1002/anie.201706236

Perricone U, Wieder M, Seidel T , Langer T, Padova A, Almerico AM et al. A Molecular Dynamics–Shared Pharmacophore Approach to Boost Early-Enrichment Virtual Screening: A Case Study on Peroxisome Proliferator-Activated Receptor α. ChemMedChem: chemistry enabling drug discovery. 2017 Aug 22;12(16):1399-1407. doi: 10.1002/cmdc.201600526

Aher Y, Kalaba P, Aher NY, Leban J, Urban E , Langer T et al. A novel heterocyclic compound improves working memory in the radial arm maze and modulates the dopamine receptor D1R in frontal cortex of the Sprague-Dawley rat. Behavioural Brain Research. 2017 Aug 14;332:308-315. doi: 10.1016/j.bbr.2017.06.023

Seidel T , Bryant S, Ibis G, Poli G, Langer T. 3D pharmacophore modeling techniques in computer-aided molecular design using LigandScout. In Varnek A, editor, Tutorials in Chemoinformatics. Wiley VCH. 2017. p. 279-309 doi: 10.1002/9781119161110.ch20, 10.1002/9781119161110.ch20

Shanmugasundaram B, Aher YD, Aradska J, Ilic M, Feyissa DD, Kalaba P et al. R-Modafinil exerts weak effects on spatial memory acquisition and dentate gyrus synaptic plasticity. PLoS ONE. 2017 Jun 23;12(6):e0179675. doi: 10.1371/journal.pone.0179675

Langer T. Next Generation Pharmacophore Modeling: Tools & Applications for Compound Design and Toxicity Risk Assessment Frontiers in Medicinal Chemistry. 2017.

Wieder M, Garon A, Perricone U, Boresch S , Seidel T, Almerico AM et al. Common Hits Approach: Combining Pharmacophore Modeling and Molecular Dynamics Simulations. Journal of Chemical Information and Modeling. 2017 Feb;57(2):365-385. doi: 10.1021/acs.jcim.6b00674

Monticelli S, Castoldi L, Murgia I, Senatore R, Wackerlig J , Urban E et al. Recent advancements on the use of 2-methyltetrahydrofuran in organometallic chemistry. Monatshefte für Chemie. 2017 Jan;148:37–48. doi: 10.1007/s00706-016-1879-3

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

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