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Synthesis and structure of a new ternary monocopper(II) complex containing mixed ligands of 2,2′‐diamino‐4,4′‐bithiazole and picrate: in vitro anticancer activity, molecular docking and reactivity towards DNA
Author(s) -
Wang XiLing,
Zheng Kang,
Wang LingYang,
Li YanTuan,
Wu ZhiYong,
Yan CuiWei
Publication year - 2016
Publication title -
applied organometallic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.53
H-Index - 71
eISSN - 1099-0739
pISSN - 0268-2605
DOI - 10.1002/aoc.3497
Subject(s) - chemistry , picrate , crystal structure , crystallography , hydrogen bond , supramolecular chemistry , intercalation (chemistry) , stereochemistry , copper , octahedral molecular geometry , ternary complex , molecule , inorganic chemistry , ion , organic chemistry , enzyme
A new ternary monocopper(II) complex with co‐ligands of 2,2′‐diamino‐4,4′‐bithiazole (dabt) and picrate (pic), namely [Cu(dabt)(pic) 2 ], has been synthesized and characterized using elemental analyses, molar conductance measurements, infrared and electronic spectral studies and single‐crystal X‐ray diffraction. The crystal structure analyses revealed that the copper(II) ion has a {CuN 2 O 4 } distorted octahedral coordination environment. The hydrogen bonding interactions contribute to a three‐dimensional supramolecular structure in the crystal. The reactivity towards herring sperm DNA showed that the copper(II) complex can interact with DNA in the mode of intercalation. The molecular docking of the complex with DNA sequence d(ACCGACGTCGGT) 2 demonstrated that the copper(II) complex is stabilized by hydrogen bonding interaction. The in vitro anticancer activities suggested that the copper(II) complex is active against selected tumor cell lines. The effects of the two co‐ligands in the copper(II) complex on DNA‐binding events and in vitro anticancer activity are preliminarily discussed. Copyright © 2016 John Wiley & Sons, Ltd.