Publications
2020
Miele M, Citarella A, Langer T, Urban E, Zehl M, Holzer W et al. Chemoselective Homologation-Deoxygenation Strategy Enabling the Direct Conversion of Carbonyls into (n+1)-Halomethyl-Alkanes. Organic Letters. 2020 Oct 2;22(19):7629-7634. doi.org/10.1021/acs.orglett.0c02831
Battisti V, Wieder O, Garon A, Seidel T, Urban E, Langer T. A Computational Approach to Identify Potential Novel Inhibitors against the Coronavirus SARS-CoV-2. Molecular Informatics. 2020 Oct;39(10). e2000090. doi.org/10.1002/minf.202000090
Kovalenko SM, Drushlyak OG, Shishkina SV, Konovalova IS, Mariutsa IO, Bunyatyan ND et al. Methylation of Methyl 4-Hydroxy-2-thioxo-1,2-dihydroquinoline-3-carboxylate: Synthetic, Crystallographic, and Molecular Docking Studies. Molecules (Basel, Switzerland). 2020 Sep 16;25(18). doi.org/10.3390/molecules25184238
Langer T. A Novel Series of [1,2,4]Triazolo[4,3-a]Pyridine Sulfonamides as Potential Antimalarial Agents:In Silico Studies, Synthesis and In Vitro Evaluation. 2020.
Langer T, Kovalenko SM, Drushlyak OG, Shishkhina SV, Konovalova, Mariutsa IO et al. Methylation of Methyl 4-Hydroxy-2-thioxo-1, 2-dihydroquinoline-3-carboxylate: Synthetic, Crystallographic, and Molecular Docking Studies. 2020.
Wackerlig J, Köfeler HC, Korz V, Hussein AM, Feyissa DD, Höger H et al. Differences in Hypothalamic Lipid Profiles of Young and Aged Male Rats With Impaired and Unimpaired Spatial Cognitive Abilities and Memory. Frontiers in Aging Neuroscience. 2020 Jul 3;12. 204. doi.org/10.3389/fnagi.2020.00204
Langer T, Garon A, Wieder O, Seidel T. Applications of the Pharmacophore Concept in Natural Product inspired Drug Design. 2020.
Vittorio S, Seidel T, Germano MP, Gitto R, Ielo L, Garon A et al. A Combination of Pharmacophore and Docking‐based Virtual Screening to Discover new Tyrosinase Inhibitors. Molecular Informatics. 2020 Mar;39(3). 1900054. doi.org/10.1002/minf.201900054
Hengphasatporn K, Garon A, Wolschann P, Langer T, Yasuteru S, Huynh TNT et al. Multiple virtual screening strategies for the discovery of novel compounds active against dengue virus: A hit identification study. Scientia Pharmaceutica. 2020 Mar;88(1). 2. doi.org/10.3390/scipharm88010002
Kalaba P, Ilić M, Aher NY, Dragačević V, Wieder M, Zehl M et al. Structure-Activity Relationships of Novel Thiazole-Based Modafinil Analogues Acting at Monoamine Transporters. Journal of Medicinal Chemistry. 2020 Jan 9;63(1):391-417. doi.org/10.1021/acs.jmedchem.9b01938
Montanari F, Knasmüller B, Kohlbacher S, Hillisch C, Baierová C, Grandits M et al. Vienna LiverTox Workspace-A Set of Machine Learning Models for Prediction of Interactions Profiles of Small Molecules With Transporters Relevant for Regulatory Agencies. Frontiers in Chemistry. 2020 Jan 1;7:899. doi.org/10.3389/fchem.2019.00899
Battisti V, Langer T, Leyssen P. A novel class of chikungunya virus small molecule inhibitors that targets the viral capping machinery. 2020.
Ibric A, Battisti V, Deckardt S, Haller AV, Lee C, Prötsch C et al. A-ring and E-ring modifications of the cytotoxic alkaloid Luotonin A: Synthesis, computational and biological studies. Bioorganic & Medicinal Chemistry. 2020;28. 115443. doi.org/10.1016/j.bmc.2020.115443
Langer T. Crystal structure, Hirshfeld analysis and a molecular docking study of a new inhibitor of the Hepatitis B virus (HBV): ethyl 5-methyl-1, 1-dioxo-2-{[5-(pentan-3-yl)-1, 2, 4 …. 2020.
Battisti V, Moesslacher J, Langer T, Urban E, Pürstinger G, Delang L et al. Identification of 2-(4-(Phenylsulfonyl) piperazine-1-yl) pyrimidine Analogues as Novel Inhibitors of Chikungunya Virus. 2020.
Langer T. The virtual screening application for searching potential antiviral agents to treat COVID-19 disease. 2020.
2019
Stadler M, Monticelli S, Seidel T, Luger D, Salzer I, Boehm S et al. Design, Synthesis, and Pharmacological Evaluation of Novel β2/3 Subunit-Selective γ-Aminobutyric Acid Type A (GABA A ) Receptor Modulators. Journal of Medicinal Chemistry. 2019 Oct 1;62(1):317-341. doi.org/10.1021/acs.jmedchem.8b00859
Langer T, Ivashchenko, Mitkin, kravchenko DV, Shishkina, Bunyatyan et al. Synthesis, X-ray crystal structure, Hirshfeld surface analysis, and molecular docking study of novel inhibitor of hepatitis B: methyl 4-fluoro-3-(morpholinosulfonyl)benzo[b]thiophene-2-carboxylate. 2019.
Bauer L, Manganaro R, Zonsics B, Strating JRPM, El Kazzi P, Lorenzo Lopez M et al. Fluoxetine Inhibits Enterovirus Replication by Targeting the Viral 2C Protein in a Stereospecific Manner. ACS Infectious Diseases. 2019 Sep 13;5(9):1609-1623. doi.org/10.1021/acsinfecdis.9b00179
Seidel T, Garon A, Pace V, Vittorio S, Germano MP, Gitto R et al. A Combination of Pharmacophore and Docking‐based Virtual Screening to Discover new Tyrosinase Inhibitors. 2019.