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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: drakulic bj. 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: drakulic bj. 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: drakulic bj. 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.
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: drakulic bj. 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
Design, synthesis and biological evaluation of novel aryldiketo acids with enhanced antibacterial activity against multidrug resistant bacterial strains.
Cvijetić IN, Verbić TŽ, Ernesto de Resende P, Stapleton P, Gibbons S, Juranić IO, Drakulić BJ, Zloh M. Cvijetić IN, et al. Among authors: drakulic bj. Eur J Med Chem. 2018 Jan 1;143:1474-1488. doi: 10.1016/j.ejmech.2017.10.045. Epub 2017 Nov 11. Eur J Med Chem. 2018. PMID: 29133041 Free article.
18 results