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Phytochemical-Mediated Assembly of a TiO₂-Supported Se–ZnO Ternary Nanocomposite: Mechanistic Antimicrobial Insights and Multi-Target Molecular Docking Evaluation
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DOI：10.1007/s10876-026-03064-5.png)
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Abstract
En 中文
This study reports the phytochemical-guided green synthesis of a TiO₂–Se–ZnO ternary nanocomposite using Chrozophora tinctoria leaf extract as a biogenic reducing and stabilizing agent. HPLC profiling identified chlorogenic acid (94.69 µg/mL), rosmarinic acid (75.75 µg/mL), gallic acid (58.55 µg/mL), and catechin as dominant constituents facilitating nanoparticle formation. Structural characterization confirmed a crystalline nanocomposite with an average hydrodynamic diameter of 95.8 nm and high colloidal stability (− 38.2 mV). The nanocomposite exhibited potent antimicrobial activity, particularly against Candida albicans (MIC 7.8 µg/mL), achieving ≥ 4 log₁₀ reduction in time–kill kinetics after 24 h and > 97% antibiofilm inhibition. ROS production increased to 245% in fungal cells, correlating directly with fungicidal action. Ultrastructural TEM analysis revealed severe membrane disruption and intracellular damage. The nanocomposite also demonstrated strong antioxidant activity IC₅₀ 3.96 µg/mL, significant COX-1 and COX-2 inhibition IC₅₀ 7.97 and 7.04 µg/mL, and excellent cytocompatibility 99.49–99.95% viability of WI-38 across tested concentrations. Molecular docking confirmed strong binding affinities toward Erg11 − 8.84 kcal/mol, COX-1 − 8.4 kcal/mol, and Bcl-2 − 8.6 kcal/mol. Importantly, this work presents the first comprehensive integration of phytochemical-guided ternary nanocomposite synthesis with quantitative ROS–time kill correlation and multi-target molecular docking validation, providing mechanistic insight into its multifunctional biomedical potential.
Keywords:
Nanocomposite
Chrozophora tinctoria
Biological activity, ROS
Molecular docking
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