Publications
Showing entries 81 - 100 out of 240
2020
Karpina VR, Kovalenko SS, Kovalenko SM, Drushlyak OG, Bunyatyan ND, Georgiyants VA et al. 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. Molecules. 2020 Oct;25(19):4485. doi: 10.3390/molecules25194485
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 Sept 16;25(18):4238. doi: 10.3390/molecules25184238
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
Abdelnabi R, Kovacikova K, Moesslacher J, Donckers K, Battisti V, Leyssen P et al. Novel Class of Chikungunya Virus Small Molecule Inhibitors That Targets the Viral Capping Machinery. Antimicrobial Agents and Chemotherapy. 2020 Jul;64(7):e00649-20. doi: 10.1128/AAC.00649-20
Moesslacher J, Battisti V, Delang L, Neyts J, Abdelnabi R, Pürstinger G et al. Identification of 2-(4-(Phenylsulfonyl) piperazine-1-yl) pyrimidine Analogues as Novel Inhibitors of Chikungunya Virus. ACS Medicinal Chemistry Letters . 2020 May 14;11(5):906-912. doi: 10.1021/acsmedchemlett.9b00662
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: 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 Sept 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
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
Evseeva LV, Ivanov VV, Karpina VR, Kovalenko SS, Kuznetsov IE, Langer T et al. The virtual screening application for searching potential antiviral agents to treat COVID-19 disease. Žurnal orhaničnoï ta farmacevtyčnoï chimiï. 2020. doi: 10.24959/ophcj.20.200019
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
Ivachtchenko AV, Mitkin OD, Kravchenko DV, Kovalenko SM, Shishkina SV, Bunyatyan ND 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. Heliyon. 2019 Nov;5(11):e02738. doi: 10.1016/j.heliyon.2019.e02738
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
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 Sept 13;5(9):1609-1623. doi: 10.1021/acsinfecdis.9b00179
Bryant SD, Langer T, Martini R, Ramilo-Gomes F, Guedes RC, Marques MM. Structure and ligand-based design of promising small molecule EZH2 inhibitors. American Chemical Society. Abstracts of Papers (at the National Meeting). 2019 Aug 25;258.
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
Rotolo RA, Dragacevic V, Kalaba P, Urban E, Zehl M, Roller A et al. The Novel Atypical Dopamine Uptake Inhibitor (S)-CE-123 Partially Reverses the Effort-Related Effects of the Dopamine Depleting Agent Tetrabenazine and Increases Progressive Ratio Responding. Frontiers in Pharmacology. 2019 Jun 28;10:682. doi: 10.3389/fphar.2019.00682
Chen X, Garon A, Wieder M, Houtman MJC, Zangerl-Plessl EM, Langer T et al. Computational identification of novel Kir6 channel inhibitors. Frontiers in Pharmacology. 2019 May;10:549. doi: 10.3389/fphar.2019.00549
Showing entries 81 - 100 out of 240