Multifaceted evaluation of novel Co(II), Ni(II), and Cu(II) metal complexes: a promising approach for DNA interaction, antimicrobial, antioxidant, anticancer, and ADME studies
摘要
An anisidine-based ligand (2-((E)-(5-cyclohexyl-2-methoxyphenylimino)methyl)-4-bromo-6-methoxyphenol) and its cobalt (II), nickel (II), and copper (II) complexes were synthesized and thoroughly characterized using spectroscopic techniques such as NMR, mass spectrometry, IR, UV–visible, magnetic moments, ESR, and TGA. The structural analysis revealed that the [Ni(L)₂] and [Cu(L)₂] complexes exhibit square planar geometries, while the cobalt complex [Co(L)₂(H₂O)₂] adopts an octahedral geometry. DNA binding studies suggested an intercalative interaction mode for all complexes, with binding constants (Ka) following the order Cu(II) > Co(II) > Ni(II), as determined by UV absorption, emission, and viscosity experiments. In DNA cleavage assays, the complexes demonstrated higher efficiency in cleaving double-stranded pBR322 DNA through oxidative and photolytic methods compared to their parent Schiff base. Cytotoxicity assays against A549 and MCF7 cell lines showed enhanced activity for the complexes relative to the free ligand. Additionally, In-vitro antimicrobial and antioxidant studies confirmed the superior efficacy of the complexes over the ligand. The biological efficacy of the ligand and its complexes was further validated through computational methods, including ADME analysis using the SWISS ADME tool. The in silico studies indicated that both the ligands and complexes exhibit drug-like properties and promising bioavailability, highlighting their potential as oral drugs.