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Four new Nickel(II) and Palladium(II) complexes of a dehydroacetic acid benzoyl hydrazone Schiff base ligand (H 2 L) with composition M(L)(X) (M = Ni or Pd; X = H 2 O for Ni1 , Pd1, or imidazole for Ni2 , Pd2 ) were synthesized. Elemental analyses (CHN), spectroscopic tools (FTIR, 1 H NMR, HRMS, and UV–Vis spectroscopy), thermal analysis, and magnetic measurements were used to elucidate their molecular structures. The data obtained confirmed the bi-negative tridentate coordination nature of the ligand via deprotonated hydroxyl group/amide oxygen, and azomethine nitrogen as (ONO-donor). The complex Ni1) displayed a tetrahedral geometry, while the complexes ( Ni2 and Pd1,2 ) displayed square planar geometry, which was also confirmed by DFT calculations. Their binding affinity towards DNA and BSA was investigated by UV–Vis and fluorescence spectroscopy revealed strong binding affinities (1.2–4.3 × 10 4 M −1 ). Molecular docking further confirmed stable interactions with both biomolecules. The in vitro cytotoxic of all complexes was evaluated using MTT assay against human breast cancer (MCF7 and MDA-MB-231), and hepatocellular (HepG2) cell line, as well as a normal human lung fibroblast cell line (WI-38), and cisplatin was used as a standard reference drug. Among these complexes, the Pd2 complex exhibited the most potent activity, especially against MDA-MB-231 (IC 50 = 5.53 ± 0.4 μM; selectivity index = 12.07). Antimicrobial activity was assessed against Gram-positive/negative bacteria, yeasts, and filamentous fungi. The Ni1 and Ni2 complexes showed superior antimicrobial effects compared to Pd complexes and the free ligand. These findings highlight the promising biological potential of these metal complexes, particularly Pd2 , as anticancer and antimicrobial agents, warranting further exploration for biomedical applications.
Elnabky et al. (Sun,) studied this question.