A structurally modified agarose/chitosan-supported green silver nanocomposite loaded with 5-fluorouracil for multifunctional biomedical applications: experimental and in silico investigations.

A novel carboxymethyl agarose/silver nanoparticle/chitosan nanocomposite encapsulated with 5-fluorouracil (CMA/Ag/CS/5-FU) was successfully synthesized via a green approach using Alstonia scholaris extract. GC-MS analysis identified 34 phytoconstituents, with Lup-20(29)-en-3-ol acetate (23.27%), squalene (14.11%), Lup-20(29)-en-3-one (10.13%), and lupeol (4.06%) as major compounds. UV-visible spectroscopy showed a characteristic SPR peak at 428 nm, confirming Ag nanoparticle formation. XRD peaks observed at 38.40°, 44.23°, 64.79°, and 77.56° confirmed the crystalline face-centered cubic structure of AgNPs, while XPS analysis revealed Ag 3d peaks at 367.96 and 373.80 eV. TEM and SEM analyses demonstrated nanoscale dispersion of AgNPs within the porous polymeric matrix. The nanocomposite exhibited significant dose-dependent anticancer activity against MCF-7 cells with an IC50 value of 98.51 µg mL-1. Antioxidant studies showed IC50 values of 39.48 ± 0.23 µg mL-1 (DPPH) and 31.48 ± 0.22 µg mL-1 (phosphomolybdate assay). Furthermore, α-amylase and α-glucosidase inhibitory activities displayed IC50 values of 38.09 ± 0.11 and 42.89 ± 0.28 µg mL-1, respectively. Molecular docking revealed a strong binding affinity of (3β)-olean-12-en-3-one toward estrogen receptor alpha (-10.5 kcal mol-1). These findings demonstrate the novelty of the green-fabricated CMA/Ag/CS/5-FU nanocomposite as a multifunctional and biocompatible nanotherapeutic platform, highlighting its potential for future applications in cancer management and oxidative stress-related disorders while supporting sustainable nanomedicine development.