Designing g-C ₃ N ₄ /PVP@Ca(OH) ₂ ternary heterostructure catalysts for efficient degradation of dyes, antibacterial activity, and molecular docking analysis

Global warming and environmental pollution demand urgent, sustainable solutions to mitigate their impacts on ecosystems and human health. To meet the rising need for efficient catalysts and antibacterial agents, advanced nanostructures have emerged as promising materials, offering enhanced functionality and sustainability in various applications. Here, we present a simple co-precipitation synthesis of ternary heterostructure (g-C₃N₄/PVP@Ca(OH)₂) catalysts for catalytic dye degradation and bactericidal applications. The catalyst nanostructure is controllably synthesized by utilizing varying amounts of graphitic carbon nitride (g-C₃N₄) nanosheets anchored on a fixed quantity of PVP-capped Ca(OH)₂ nanoparticles. Comprehensive characterization of the ternary heterostructure catalysts revealed polycrystalline behaviour, enhanced optical absorption, and decreased crystallite size. The modified g-C₃N₄/PVP@Ca(OH)₂ heterostructures exhibited enhanced surface area, improved charge transfer efficiency, a large number of active sites, and increased stability. These attributes resulted in effective catalytic reduction of both coloured and colourless dyes and notable antibacterial activity against <i>Escherichia coli</i> (<i>E. coli</i>), supported by molecular docking analysis. The ternary g-C₃N₄/PVP@Ca(OH)₂ heterostructure catalyst exhibited superior efficiency in degrading colored dyes compared to colorless compounds. Additionally, computational studies indicated the potential inhibitory effect of the synthesized catalyst on the DNA gyrase enzyme of <i>E. coli</i>. These findings highlight the promise of g-C₃N₄/PVP@Ca(OH)₂ nanostructures as multifunctional materials for environmental remediation and antibacterial applications, underscoring the need for further investigation and optimization.