Two-Dimensional Copper Coordination Polymers Regulated by Tridentate Auxiliary Ligands as Efficient Urease Inhibitors
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Abstract
Two-dimensional (2D) copper coordination polymers, characterized by their unique layered structures, multiple coordination sites, and tunable pore channels, have attracted considerable attention due to their potential applications in urease inhibition and agricultural environmental management. The combination of structural flexibility, high surface area, and adjustable metal-ligand coordination environments allows these polymers to interact effectively with enzymatic active sites, offering a promising platform for the development of highly efficient and controllable enzyme inhibitors. In this study, tridentate auxiliary ligands were employed as structural regulators to design and construct novel 2D copper coordination polymers. The influence of these ligands on the polymeric architecture and urease inhibitory performance was systematically investigated. Single-crystal X-ray diffraction analysis revealed that the tridentate ligands not only effectively modulate the coordination environment of copper centers but also direct the topology of the 2D layered networks, promoting the exposure of active sites that are critical for enzyme binding. The resulting polymers exhibit a well-defined layered structure with interconnected channels, which can facilitate substrate accessibility and enhance inhibitory efficiency. Thermogravimetric analysis (TGA) and powder X-ray diffraction (PXRD) measurements confirmed that the synthesized polymers possess excellent thermal stability and retain their crystallinity under experimental conditions, indicating robust structural integrity suitable for practical applications. In vitro urease inhibition assays demonstrated that the novel polymers exhibit high inhibitory activity, with IC₅₀ values significantly lower than those of analogous systems constructed using bidentate auxiliary ligands. These results suggest that the incorporation of tridentate ligands markedly enhances enzyme inhibition, likely due to the combined effects of increased active site exposure, optimized pore channels, and the rigidity of the polymeric network. Mechanistic analysis indicates that copper ions may interact directly with the urease active center through coordination or electrostatic interactions, thereby blocking substrate binding and suppressing enzymatic activity. Furthermore, the network rigidity and pore structure controlled by the tridentate ligands appear to reinforce these interactions, contributing to enhanced inhibitory efficiency. Overall, this study provides a novel strategy for the rational design of 2D copper coordination polymers as effective urease inhibitors. The findings offer valuable theoretical guidance for the development of high-performance, controllable enzyme inhibitors with potential applications in agriculture and environmental management. By combining structural tunability, high stability, and functional performance, tridentate-ligand-directed 2D coordination polymers represent a versatile and promising platform for sustainable nitrogen management and other bifunctional applications.
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