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

Abstract

Abstract 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.