Anti-Inflammatory Effects of Bisacurone Isolated from Curcuma longa (Ryudai Gold): An In Vivo and In Silico Study

Bisacurone is a sesquiterpenoid constituent of <i>Curcuma longa</i> that has received considerably less attention than curcuminoids despite emerging evidence of its biological activity. In this study, the anti-inflammatory potential of bisacurone isolated from the Ryudai gold variety of <i>Curcuma longa</i> was evaluated using an integrated in vivo and in silico approach. Acute inflammation was assessed in rats using a carrageenan-induced paw edema model, supported by histopathological examination of paw tissues. Bisacurone significantly reduced paw edema during the peak inflammatory phase and markedly attenuated dermal thickening and inflammatory cell infiltration, indicating effective suppression of acute inflammatory responses. The effects of bisacurone were comparable to that of indomethacin. To elucidate the underlying molecular basis, density functional theory calculations, molecular docking, molecular dynamics simulations, and pharmacokinetic and toxicity predictions were performed. In silico analyses revealed favorable electronic properties, drug-likeness, and stable interactions of bisacurone with key inflammatory regulators, particularly IKKβ and COX-1, along with moderate interactions with MAPKs and iNOS. Molecular dynamics simulations confirmed the stability of the protein-ligand complexes. Collectively, these findings demonstrate that bisacurone exerts anti-inflammatory effects through multi-target modulation of inflammatory signaling pathways and highlight its potential as a bioactive functional food component and a lead compound for anti-inflammatory drug development.