Synergistic, theoretical, and experimental study of the interaction of a tri-heterometallic polymer with bovine liver catalase

Reactive oxygen species (ROS) modulate redox balance and cellular processes such as proliferation, angiogenesis, metabolism, immune modulation, and metastasis. Metal-based polymeric complexes have shown potential in disrupting oxidative pathways relevant to tumor development. A comprehensive investigation was conducted on the interaction between a Cu/Mn/Na polymer and catalase, as well as its cytotoxic behavior. The compound exhibited notable antioxidant properties, achieving 61.2% inhibition of the DPPH radical at 125 μM after 60 min. Additionally, the polymer enhanced bovine liver catalase (BLC) activity by up to 138.9% at 7.7 × 10^-6 M, with a moderate binding constant in the range of 10⁴ M^-1. Fluorescence analyses revealed a static quenching mechanism, and molecular docking revealed hydrogen bonding and van der Waals forces to be the key stabilizing interactions. Conformational analyses demonstrated significant structural alterations in BLC upon polymer interaction. The MTT assay revealed considerable antiproliferative effects against colon carcinoma (HCT116) cells, with activity comparable with that of cisplatin at higher concentrations. Importantly, unlike cisplatin, the polymer exhibited minimal toxicity towards normal cells (NIH/3T3), suggesting its potential as an anticancer agent. These findings indicate the potential of the polymer as a redox-modulating therapeutic agent with promising anticancer properties.