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Structural modifications of 4-aryl-4-oxo-2-aminylbutanamides and their acetyl- and butyrylcholinesterase inhibitory activity. Investigation of AChE-ligand interactions by docking calculations and molecular dynamics simulations.
Vitorović-Todorović MD, Koukoulitsa C, Juranić IO, Mandić LM, Drakulić BJ. Vitorović-Todorović MD, et al. Among authors: juranic io. Eur J Med Chem. 2014 Jun 23;81:158-75. doi: 10.1016/j.ejmech.2014.05.008. Epub 2014 May 4. Eur J Med Chem. 2014. PMID: 24836068
4-Aryl-4-oxo-N-phenyl-2-aminylbutyramides as acetyl- and butyrylcholinesterase inhibitors. Preparation, anticholinesterase activity, docking study, and 3D structure-activity relationship based on molecular interaction fields.
Vitorović-Todorović MD, Juranić IO, Mandić LM, Drakulić BJ. Vitorović-Todorović MD, et al. Among authors: juranic io. Bioorg Med Chem. 2010 Feb;18(3):1181-93. doi: 10.1016/j.bmc.2009.12.042. Epub 2009 Dec 22. Bioorg Med Chem. 2010. PMID: 20061157
The 3D-QSAR study of 110 diverse, dual binding, acetylcholinesterase inhibitors based on alignment independent descriptors (GRIND-2). The effects of conformation on predictive power and interpretability of the models.
Vitorović-Todorović MD, Cvijetić IN, Juranić IO, Drakulić BJ. Vitorović-Todorović MD, et al. Among authors: juranic io. J Mol Graph Model. 2012 Sep;38:194-210. doi: 10.1016/j.jmgm.2012.08.001. Epub 2012 Sep 1. J Mol Graph Model. 2012. PMID: 23073222
(E)-4-aryl-4-oxo-2-butenoic acid amides, chalcone-aroylacrylic acid chimeras: design, antiproliferative activity and inhibition of tubulin polymerization.
Vitorović-Todorović MD, Erić-Nikolić A, Kolundžija B, Hamel E, Ristić S, Juranić IO, Drakulić BJ. Vitorović-Todorović MD, et al. Among authors: juranic io. Eur J Med Chem. 2013 Apr;62:40-50. doi: 10.1016/j.ejmech.2013.01.006. Epub 2013 Jan 11. Eur J Med Chem. 2013. PMID: 23353745 Free PMC article.
27 results