Computational, antimicrobial, DNA binding and anticancer activities of pyrimidine incorporated ligand and its copper(II) and zinc(II) complexes

Murugesan Sankarganesh, Nagaraj Revathi, Jeyaraj Dhaveethu Raja, Karunganathan Sakthikumar, Gujuluva Gangatharan Vinoth Kumar, Jegathalaprathaban Rajesh, Manikkam Rajalakshmi, Liviu Mitu

Abstract


In this research article, we have synthesized and evaluated the structural characterization, biological, DNA binding and anticancer properties of pyrimidine incorporated Schiff base ligand L and its complexes of [CuL2](ClO4)2 (1) and [ZnL2](ClO4)2 (2). The isolated complexes 1 and 2 have significant antibacterial and antifungal agents than ligand L. The interaction between protein and L were analyzed by in silico method. The intercalative binding of prepared compounds was proved from electronic absorption, fluorometric, cyclic voltammetric and viscometric methods. The calculated binding parameters like, Kb (2.65 × 103, L; 7.74 × 103,1 and 2.99 × 103, 2), Ksv (3.30 × 103, L; 4.31 × 103, 1 and 3.89 × 103, 2) and Kapp (2.15 × 105, L; 3.30 × 105, 1 and 2.82 × 105, 2) values are indicting that complex 1 have good interaction ability than L and complex 2. The in vitro anticancer properties of L, complexes 1 and 2 against human cancer (MCF-7, HeLa and HEp-2) and normal (NHDF) cell lines were determined by MTT assay method. The obtained results designated that complexes 1 and 2 exhibited substantial anticancer activity against cancer cell lines than L.


Keywords


metal complexes; DFT; antimicrobial; DNA interaction; anticancer studies

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References


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DOI: https://doi.org/10.2298/JSC180609080S

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