Kakkan Vijayalakshmi, R. Murugesan, Nagamuthu Prakash, Nagappan Vidhyulatha, A. Arunkumar, M. Aboorva, A. Manjulabai, Kaliyamoorthy Dass, Jeyalatchagan Sureshkumar
Objective This study aimed to green-synthesize ZnO, CuO, and bimetallic CuO-ZnO nanocomposites using Chloris virgata leaf (CVL) extract and evaluate their synergistic anti-arthritic potential. Methods The nanomaterials were fabricated through an eco-friendly approach and characterized using spectroscopic (UV-vis, FTIR, XPS) and microscopic (XRD, SEM, EDX) techniques. Their efficacy was assessed through in vitro collagenase inhibition and protein denaturation assays, complemented by in silico molecular docking against the 2CLT protein. Results GC-MS analysis of the extract identified 21 phytochemical constituents, including heptadecyl hexyl oxalate, being the most abundant (21.96%), followed by 3,5-di-tert-butylphenol (12.57%) and 5,5-diethylpentadecane (10.70%), which may contribute to the reduction and stabilization of nanomaterials. Characterization confirmed the successful synthesis of pure, crystalline bimetallic structures with successful structural integration. The CVL-CuO-ZnO nanocomposite exhibited superior biological activity, achieving 86.34% collagenase inhibition and 85.14% protein denaturation inhibition, outperforming both individual metal oxides and standard drugs. Molecular docking identified tetradecanoic acid as a high-affinity ligand (−6.651 kcal/mol), validating the mechanistic interaction with the target enzymes. Conclusion The findings demonstrate a significant synergistic effect between the metal oxides and CVL phytochemicals, suggesting that these biogenic nanocomposites are promising, eco-friendly candidates for anti-arthritic therapy.