title: Synthesis, structural studies and biological activity of new Cu(II) complexes with acetyl derivatives of 7-hydroxy-4-methylcoumarin.
abstract: The new Cu(II) complexes with 6-acetyl-7-hydroxy-4-methylcoumarin (HL1) and 8-acetyl-7-hydroxy-4-methylcoumarin (HL2) have been obtained by the electrochemical method. The density functional theory calculations and X-ray absorption spectroscopy techniques have been used to geometrically describe a series of new compounds. The studies have been focused on the coordination mode of the hydroxy ligands to the metallic centre. The complexes, Cu(HL1)2 and Cu(HL2)2⋅0.5H2O, have flat square geometry with oxygen atoms in the first coordination sphere. Two bidentate anionic coumarins are bonded to the metal cation via the acetyl and deprotonated hydroxyl O atoms. Biological activity, including microbiological and cytotoxic, has been evaluated and found to be enhanced in comparison with the parent ligands. Moreover, the Cu(II) complex with 8-acetyl-7-hydroxy-4-methylcoumarin shows similar antifungal activity as commercially used fluconazole.
authors: Institute of Physics, Polish Academy of Sciences, Al. Lotnikow 32/46 PL-02668, Warsaw, Poland. Electronic address: mklepka@ifpan.edu.pl.
authors: Marcin T
authors: MT
authors: Klepka
authors: Institute of Physics, Polish Academy of Sciences, Al. Lotnikow 32/46 PL-02668, Warsaw, Poland.
authors: Aleksandra
authors: A
authors: Drzewiecka-Antonik
authors: Institute of Physics, Polish Academy of Sciences, Al. Lotnikow 32/46 PL-02668, Warsaw, Poland.
authors: Anna
authors: A
authors: Wolska
authors: Institute of Physics, Polish Academy of Sciences, Al. Lotnikow 32/46 PL-02668, Warsaw, Poland.
authors: Paweł
authors: P
authors: Rejmak
authors: Faculty of Pharmacy, Medical University of Warsaw, Banacha 1, PL-02097, Warsaw, Poland.
authors: Kinga
authors: K
authors: Ostrowska
authors: Faculty of Pharmacy, Medical University of Warsaw, Banacha 1, PL-02097, Warsaw, Poland.
authors: Elżbieta
authors: E
authors: Hejchman
authors: National Medicines Institute, Chelmska 30/34, PL-00725, Warsaw, Poland.
authors: Hanna
authors: H
authors: Kruszewska
authors: Centre of Biostructure Research, Medical University of Warsaw, Chalubinskiego 5, PL-02004, Warsaw, Poland.
authors: Agnieszka
authors: A
authors: Czajkowska
authors: Centre of Biostructure Research, Medical University of Warsaw, Chalubinskiego 5, PL-02004, Warsaw, Poland.
authors: Izabela
authors: I
authors: Młynarczuk-Biały
authors: Faculty of Chemistry, Maria Curie-Sklodowska University, Sq. Maria Curie-Sklodowska 2, PL-20031, Lublin, Poland.
authors: Wiesława
authors: W
authors: Ferenc
mesh_terms: D016475:3T3 Cells; D000818:Animals; D000890:Anti-Infective Agents / Q000494:pharmacology; D045744:Cell Line, Tumor; D003300:Copper / Q000737:chemistry*; D004354:Drug Screening Assays, Antitumor; D006801:Humans; D006923:Hymecromone / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology*; D008297:Male; D051379:Mice; D008826:Microbial Sensitivity Tests; D015394:Molecular Structure; D017550:Spectroscopy, Fourier Transform Infrared; D056928:X-Ray Absorption Spectroscopy
chemical_list: D000890:Anti-Infective Agents; D006923:Hymecromone; D003300:Copper
keywords: 7-hydroxycoumarin; Coumarin derivative; Cu(II) complex; DFT; Electrochemical synthesis; XAFS