Half-sandwich ruthenium(II)-arene complexes: synthesis, spectroscopic studies, biological properties, and molecular modeling

Autor:	Rahma Dahmani, Sonja Grubišić, Ivana S. Djordjević, Stefan Nikolić, Jelena Tosic, Sasenka Vidicevic, Dragana Mitić, Sanja Grgurić-Šipka, Dragana Dekanski
Rok vydání:	2019
Předmět:	Ruthenium complexes Molecular model Intercalation (chemistry) DNA docking chemistry.chemical_element DFT calculations 010402 general chemistry 010403 inorganic & nuclear chemistry 01 natural sciences Combinatorial chemistry 0104 chemical sciences 3. Good health Ruthenium Metal chemistry intercalation visual_art Biological property cytotoxicity studies Materials Chemistry visual_art.visual_art_medium Physical and Theoretical Chemistry
Zdroj:	Journal of Coordination Chemistry
ISSN:	1029-0389 0095-8972
Popis:	In search for antitumor metal-based drugs that would mitigate the severe side-effects of cisplatin, Ru(II) complexes are gaining increasing recent interest. In this work, we report on the synthesis, characterization (1H- and 13C-NMR, FT-IR), and cytotoxicity studies of two new half-sandwich organometallic Ru(II) complexes of the general formula [Ru(η6-arene)(XY)Cl](PF6) where arene = benzene or toluene and XY = bidentates: dipyrido[3,2-a:2′,3′-c]phenazine (dppz) or 2-(9-anthryl)-1H-imidazo[4,5-f][1,10]phenanthroline (aip), which are bound to Ru(II) via two phenanthroline-N atoms in a characteristic “piano-stool” configuration of Ru(II)-arene complexes—as confirmed by vibrational and NMR spectra. In addition, cytotoxic studies were performed for similar half-sandwich organometallic [Ru(η6-p-cymene)(Me2dppz)Cl]PF6 complex (Me2dppz = 11,12-dimethyl-dipyrido[3,2-a:2′,3′-c]phenazine). This study is complemented with elaborate modeling with density functional theory (DFT) calculations, which provided insight into reactive sites of Ru(II) structures, further detailed by molecular docking on the B-DNA dodecamer, which identified binding sites and affinities: most pronounced for the [Ru(η6-benzene)(aip)Cl](PF6) in both A-T and G-C regions of the DNA minor groove. Cytotoxic activity was probed versus tumor cell lines B16, C6, and U251 (B16 mouse melanoma, C6 rat glioma, U251 human glioblastoma) and non-tumor cell line HACAT (HACAT normal human keratinocytes). This is the peer-reviewed version of the following article:Nikolić, S.; Grgurić-Šipka, S.; Djordjević, I. S.; Dahmani, R.; Dekanski, D.; Vidičević, S.; Tošić, J.; Mitić, D.; Grubišić, S. Half-Sandwich Ruthenium(II)-Arene Complexes: Synthesis, Spectroscopic Studies, Biological Properties, and Molecular Modeling. Journal of Coordination Chemistry 2019, 72 (1), 148–163. [https://doi.org/10.1080/00958972.2018.1553298]. Supplementary material: [http://cherry.chem.bg.ac.rs/handle/123456789/3753]
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::47a6f187eba927356c3b907326fc2d36 https://doi.org/10.1080/00958972.2018.1553298 Zobrazit plný text záznamu Plný text ve formátu PDF Plný text ve formátu HTML
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