Spectroscopic, Computational, Antimicrobial, DNA Interaction, In Vitro Anticancer and Molecular Docking Properties of Biochemically Active Cu(II) and Zn(II) Complexes of Pyrimidine-Ligand

摘要: Biochemically active Cu(II) and Zn(II) complexes [CuL(ClO4)2(1) ZnL(ClO4)2(2)] have been synthesized from N,N donor Schiff base ligand L derived from4,6-dichloropyrimdine-5-carboxaldehyde with 4-(2-aminoethyl)morpholine. The L, 1 2 have structurally characterized by elemental analysis, 1H-NMR, FTIR, MS, UV-Visible ESR techniques. results obtained the spectral studies supports 2 are coordinated through square planar geometry. DFT calculations supports, to metal charge transfer mechanism can occur between metal(II) ions. antimicrobial efficacy recommended that, good anti-pathogenic agents than L. interaction of calf thymus (CT) DNA has studied electronic absorption, viscometric, fluorometric cyclic voltammetric measurements. calculated Kb values for found absorption titrations was 4.45 × 104, L; 1.92 × 105, 1.65 × 105, 2. Ksv were be 3.0 × 103, 3.68 × 103and 3.52 × 103 using competitive binding ethidium bromide (EB). These suggest compounds interacted may electrostatic binding. molecular docking carried out confirm DNA. Consequently, in vitro anticancer activities against selected cancer (lung A549, liver HepG2 cervical carcinoma HeLa) normal (NHDF) cell lines assessed MTT assay.