Integrated experimental and computational insights into the anti-inflammatory potential of flower-derived exosome-like nanoparticles targeting the NF-κB pathway

Isolated ELNs demonstrated a strong antioxidant potential and <i>in vitro</i> analysis revealed significant regulation in mRNA expression of inflammatory cytokines and NF-κB transcriptional activity. Molecular docking identified several metabolites with higher binding affinity against NF-κB p65-p50 heterodimer supported by simulation studies confirming stable ligand-protein interaction. Both docking scores and simulation trajectories strongly supported stable, high-affinity interactions consistent with NF-κB pathway inhibition. Overall, the combined experimental and computational findings in the study represent the first comprehensive data of floral ELN bioactives, offering the significant translational potential of floral nanovesicles as a new class of biocompatible, cell-free nanotherapeutics for anti-inflammatory drug discovery.