Anti-inflammatory Potential of Apigenin and Luteolin in Oral Mucositis: An In Silico Docking Study Targeting IL-6, NF-κB, and COX-2.

OBJECTIVES: Oral mucositis (OM) is an oral mucosal inflammation induced by radiotherapy/chemotherapy, which is characterized by erythema, edema, and oral ulceration that significantly reduce patients' quality of life. Several pro-inflammatory cytokines such as interleukin-6 (IL-6), nuclear factor kappa B (NF-κB), and cyclooxygenase-2 (COX-2) are involved in the pathophysiological stage of OM. Natural flavonoids, for instance, apigenin and luteolin, have demonstrated anti-inflammatory and antioxidant properties. This study aimed to evaluate the anti-inflammatory potential of apigenin and luteolin through an in silico molecular docking approach targeting key inflammatory mediators, including IL-6, NF-κB, and COX-2.

MATERIALS AND METHODS: Three-dimensional structures of the ligands and target proteins were obtained from public databases and prepared for docking simulations using validated computational tools. Binding affinity, interaction profiles, and stability of ligand-protein complexes were analyzed to determine inhibitory potential.

RESULTS: The docking results demonstrated favorable binding energies of both apigenin and luteolin toward IL-6, NF-κB, and COX-2, with multiple hydrogen bonds and hydrophobic interactions stabilizing the complexes.

CONCLUSION: These findings suggest that apigenin and luteolin may modulate inflammatory signaling pathways involved in OM and could serve as promising candidates for further in vitro and in vivo investigation.