Synthesis, interactions, molecular structure, biological properties and molecular docking studies on Mn, Co, Zn complexes containing acetylacetone and pyridine ligands with DNA duplex.
Three metal complexes (1-3) of the type [Mn(acac)2(py)·H2O] (1), [Co(acac)2(py)·H2O] (2) and [Zn(acac)2(py)·H2O] (3), [Where acac=acetylacetone, py=pyridine] were synthesized and characterized by spectral (UV-vis, FT-IR, ESI-mass) analysis. The structure of complex 2 has been determined by single crystal X-ray diffraction studies and the configuration of ligand-coordinated to metal(II) ion was well described as distorted octahedral coordination geometry. The interaction of the complexes with CT-DNA has been explored by absorption, fluorescence, circular dichromism spectroscopy, viscosity measurements and molecular docking studies. The intrinsic binding constant Kb of complexes 1-3 with CT-DNA obtained from UV-vis absorption spectral studies were 2.1×10(4), 2.1×10(5) and 1.98×10(4)M(-1), respectively, which revealed that the complexes could interact with CT-DNA through groove binding. The results indicated that the complexes (1-3) were able to bind to DNA with different binding affinity, in the order: 2>1>3. The interaction of the compounds with bovine serum albumins were also investigated using fluorescence methods and the gel electrophoresis assay demonstrates weak cleavage ability of the pBR322 plasmid DNA in the presence of the metal complexes (1-3) with various activators. Further, the in vitro cytotoxic effect of the complexes were examined on cancerous cell line, with human breast cancer cells MCF-7.
Department of Industrial Chemistry, Alagappa University, Karaikudi 630 003, India.
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Thamilarasan
Department of Chemistry, DDE, Alagappa University, Karaikudi 630 003, India. Electronic address: nsvelan1975@yahoo.com.
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Sengottuvelan
Department of Bioinformatics, Alagappa University, Karaikudi 630 004, India.
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Stalin
Department of Bioinformatics, Alagappa University, Karaikudi 630 004, India.
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Srinivasan
Department of Physics, CPCL Polytechnic College, Chennai 600 068, India.
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Chakkaravarthi
D045744:Cell Line, Tumor; D002942:Circular Dichroism; D004247:DNA / Q000737:chemistry*; D006801:Humans; D008024:Ligands; D013058:Mass Spectrometry; D008670:Metals / Q000737:chemistry*; D062105:Molecular Docking Simulation; D015394:Molecular Structure; D010422:Pentanones / Q000737:chemistry*; D011725:Pyridines / Q000737:chemistry*; D013056:Spectrophotometry, Ultraviolet; D017550:Spectroscopy, Fourier Transform Infrared; D014783:Viscosity; D014961:X-Ray Diffraction
D008024:Ligands; D008670:Metals; D010422:Pentanones; D011725:Pyridines; C008790:acetylacetone; D004247:DNA; C023666:pyridine
Co(II); Cytotoxic activities; DNA/protein interaction; Mn(II); Molecular modeling; Zn(II) complexes