Publications
Showing entries 61 - 80 out of 222
2020
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):4238. doi: 10.3390/molecules25184238
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: 10.3389/fnagi.2020.00204
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 May 1;28(9):115443. doi: https://doi.org/10.1016/j.bmc.2020.115443
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. Epub 2019 Sep 11. doi: 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: 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: 10.1021/acs.jmedchem.9b01938
Langer T, Bryant SD. Successful Drug Discovery, Volume 4: Edited by János Fischer, Christian Klein, and Wayne E. Childers. ChemMedChem. 2020 Jan 7;15(1):173-173. doi: 10.1002/cmdc.201900599
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: 10.3389/fchem.2019.00899
Ivachtchenko AV, Kovalenko SM, Kravchenko DV, Mitkin OD, Ivanov VV, 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-oxadiazol-3-yl]methyl}- 2H-1,2,6-thiadiazine-4-carboxylate. Acta Crystallographica. Section E: Crystallographic Communications. 2020 Jan;76(1):12-17. Epub 2019 Nov 27. doi: 10.1107/S2056989019015986
Battisti V, Langer T, Leyssen P. A novel class of chikungunya virus small molecule inhibitors that targets the viral capping machinery. 2020.
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
Ivachtchenko AV, Mitkin OD, Kravchenko DV, Kovalenko SM, Shishkina SV, Bunyatyan ND et al. Synthesis, Single Crystal X-Ray Analysis, Prediction and Study of Pharmacological Activity of 4-(1H-Benzo[d]imidazol-2-yl)-1-Phenyl-1H-1,2,3-triazol-5-Amine and Its Solvates. Crystals - Open Access Crystallography Journal. 2019 Dec 5;9(12):644. doi: 10.3390/cryst9120644
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: 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: 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.
ivashchenko AV, Mitkin OD, Kravchenko DV, Kuznetsova IV, Kovalenko SM, Bunyatyan ND et al. Synthesis, X-ray Crystal Structure, Hirshfeld Surface Analysis, and Molecular Docking Study of Novel Hepatitis B (HBV) Inhibitor: 8-Fluoro-5-(4-fluorobenzyl)-3-(2-methoxybenzyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one. Molecular Crystals and Liquid Crystals. 2019 Aug;9(8):379. 379. doi: 10.3390/cryst9080379
Showing entries 61 - 80 out of 222