1. Synthesis, crystal structure, DNA binding, molecular docking, cytotoxic activities and apoptosis of two copper (II) complexes constructed by 1,10-phen and semirigid bridge ligands.
- Author
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Wang, Ke-Hua and Gao, En-Jun
- Subjects
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COMPLEX compounds synthesis , *CRYSTAL structure , *DNA-binding proteins , *MOLECULAR docking , *APOPTOSIS , *COPPER compounds , *LIGANDS (Chemistry) - Abstract
Graphical abstract Novel Di-and tetranuclear copper(II) complexes have been synthesized and structurally characterized. The interaction with DNA of two complexes in non-intercalation binding mode was confirmed by spectroscopic studies and molecular docking. The two compounds show cytotoxicity against HeLa cells and AGZY-83a cell lines via an apoptotic cell death mechanism. Highlights • Di-and tetranuclear copper(II) complexes have been synthesized. • The metal complexes bind to FS-DNA in non-intercalation binding mode. • Both complexes show in vitro cytotoxicity via an apoptotic cell death mechanism. Abstract New di-and tetranuclear copper(II) complexes of formula [Cu (phen) (mqpa)]·2H 2 O·CH 3 CH 2 OH (1) and [Cu 2 (phen) 2 (ppa) 2 (H 2 O) 2 ]·4H 2 O·CH 3 CH 2 OH (2) (phen = 1,10- phenanthroline, H 2 mqpa = 4-(2-methyl-quinolin-1-ium-8-yloxy) phthalic acid, H 2 ppa = 3-(pyridiium-3-yloxy) phthalic acid) have been synthesized and characterized by elemental analysis, infrared spectrum, and single X-ray diffraction. In complex 1 , two [Cu(phen)] units are bridged by two mqpa ligands via carboxyl bridges, forming a binuclear compound with Cu…Cu distance of 3.329 Å. Through strong π…π and CH…π weak interaction, complex 1 molecules are assembled into 2D supramolecular structures. Compound 2 features a metallamacrocyclic assembly in which four [Cu(phen)(H 2 O)] species are linked together by four ppa bridge ligands in head to tail fashion with Cu…Cu distance of 8.713 and 8.528 Å. The adjacent tetranuclear complex 2 molecules stacked together through strong π…π. The Cu(II) ions in two compounds are all in square pyramidal geometry. The interaction of two complexes with FS-DNA was studied by electronic absorption titration and ethidium bromide displacement experiments, the result displayed both complexes interact with DNA in non-intercalation mode, molecular docking simulation displayed that complex 1 interacts with DNA with a partial intercalation mode and complex 2 favor binding to major groove. Both complexes exhibit cytotoxicity against HeLa cells and AGZY-83a cells, and complex 2 has similar anticancer activity toward HeLa cells with cisplatin. The results of apoptosis assays by flow cytometry shows complex 2 promotes more apoptosis in HeLa cell lines than complex 1. [ABSTRACT FROM AUTHOR]
- Published
- 2018
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