Computational and Molecular Docking Analysis of β-Sitosterol from Turmeric as a Potential Therapeutic Agent for Ulcerative Colitis

Ulcerative colitis (UC) is a chronic inflammatory disorder of the colon characterized by recurrent mucosal ulceration, diarrhea, abdominal pain, and weight loss. Conventional therapies, including aminosalicylates, corticosteroids, and immunosuppressants, provide symptomatic relief but are often associated with adverse effects and incomplete remission. In recent years, natural phytochemicals have gained attention as alternative or complementary therapeutic options. β-Sitosterol, a bioactive phytosterol abundantly present in turmeric, has demonstrated anti-inflammatory and immunomodulatory properties. Emerging evidence suggests that β-sitosterol exerts its effects by modulating the NF-κB signaling pathway and activating peroxisome proliferator-activated receptor-γ (PPAR-γ), thereby reducing pro-inflammatory cytokine expression and restoring intestinal homeostasis. In this study, molecular docking was employed to predict the binding affinity and interaction patterns of β-sitosterol with key UC-related targets. The docking simulations revealed favorable binding energies, supported by hydrogen bonding, hydrophobic interactions, and van der Waals forces, indicating strong protein–ligand interactions. These findings suggest that β-sitosterol could serve as a promising lead compound for the development of safer and more effective therapeutics for UC. Further in vitro and in vivo studies are required to validate its therapeutic potential.