Synthesis,characterization and in vitro DNA binding studies of a new copper(II) complex containing antioxidant ferulic acid |
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| Authors: | Nahid Shahabadi Maryam Mahdavi Avat Taherpour Fatemeh Ghasemhezaveh |
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| Institution: | 1. Faculty of Chemistry, Department of Inorganic Chemistry, Razi University, Kermanshah, Iran;2. Medical Biology Research Center (MBRC) Kermanshah University of Medical Sciences, Kermanshah, Irann.shahabadi@razi.ac.ir;4. Medical Biology Research Center (MBRC) Kermanshah University of Medical Sciences, Kermanshah, Iran;5. Medical Biology Research Center (MBRC) Kermanshah University of Medical Sciences, Kermanshah, Iran;6. Faculty of Chemistry, Department of Organic Chemistry, Razi University, Kermanshah, Iran;7. Faculty of Chemistry, Department of Organic Chemistry, Razi University, Kermanshah, Iran |
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| Abstract: | A mononuclear Cu(II) complex, Cu(FA)2(NO3)2], in which FA is ferulic acid ((E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoic acid), was synthesized and characterized by spectroscopic methods. The main structures of the ligand and its complexes with Cu2+ were optimized by QM calculations. The calculations on the structures of the Cu(FA)2(NO3)2] complexes forms and the intercalating with DNA profile were undertaken by UHF/PM6 and MMFF94 methods, respectively. In vitro studies (UV-vis spectroscopy, emission titration, circular dichroism techniques, and viscometry) under physiological conditions (Tris-HCl buffer solutions, pH 7.4) showed that the complex interacts with calf-thymus DNA (ct-DNA) via an intercalative binding mode. The thermodynamic parameters, enthalpy change (ΔH), and entropy change (ΔS) showed that the acting forces between Cu(II) complex and ct-DNA mainly included van der Waals interactions and hydrogen bonds. Methylene blue (MB) displacement studies revealed that Cu(II) complex can substitute MB probe in the MB-DNA complex which was indicative of intercalative binding. The theoretical data confirm the experimental results with respect to the mechanism of binding. |
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| Keywords: | Copper(II) complex ferulic acid DNA Interaction intercalative binding |
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