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Novel metal(II) complexes with pyrimidine derivative ligand: synthesis, multi-spectroscopic, DNA binding/cleavage, molecular docking with DNA/BSA, and antimicrobial studies

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Abstract

New series of metal(II) complexes of [Mn(L)(OAc)], [Co(L)(OAc)], [Ni(L)(OAc)], [Cu(L)(OAc)], and [Zn(L)(OAc)], where HL is Schiff base ligand as 2-[(4,6-dimethylpyrimidin-2-ylimino)methyl]-6-methoxyphenol and -OAc is acetate have been synthesized and characterized by physico-chemical and different spectral techniques. The synthesized metal(II) complexes have square planar geometry which was proved from above listed characterization methods. The synthesized complexes have remarkable antimicrobial agents than ligand. Absorption titration and viscosity experiments results suggest that metal(II) complexes bind with calf thymus (CT) DNA via groove binding mode. CT-DNA cleavage activities of HL and complexes have been investigated by gel-electrophoresis method. Moreover, molecular docking analysis has been carried out using the DFT optimized geometries to understand the nature of interactions of the synthesized ligand and its metal complexes with DNA and BSA protein. Molecular docking analysis reveals that the metal(II) complexes tend to show good binding affinity towards both DNA and BSA compared to Schiff base ligand.

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Acknowledgements

The authors express their sincere thanks to Management, Principal and Head, The American College, Madurai for providing the research facilities and their constant encouragements. The authors express their sincere thanks to Department of Science and Technology (DST)-Science and Engineering Research Board (SERB Ref. No.: SR/FT/CS-117/2011 dated 29.06.2012) Government of India, New Delhi for the financial support.

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Correspondence to Jeyraj Dhaveethu Raja.

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Senthilkumar, G.S., Sankarganesh, M., Dhaveethu Raja, J. et al. Novel metal(II) complexes with pyrimidine derivative ligand: synthesis, multi-spectroscopic, DNA binding/cleavage, molecular docking with DNA/BSA, and antimicrobial studies. Monatsh Chem 152, 251–261 (2021). https://doi.org/10.1007/s00706-021-02737-3

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