Anti-Inflammatory Potential of Key Phytochemicals From Humboldtia sanjappae: In Vivo Studies and Molecular Docking With MM-GBSA Analysis

Humboldtia sanjappae, an endemic medicinal plant, was examined for its anti-inflammatory properties using both in vivo and in silico methodologies. The anti-inflammatory activity was assessed utilizing carrageenan-induced and formalin-induced paw oedema models in Swiss albino mice. The ethanolic extract of H. sanjappae demonstrated significant, dose-dependent inhibition of inflammation. Phytochemical analysis identified bioactive flavonoids, with neoeriocitrin demonstrating the highest binding affinity for TNF-α in molecular docking studies, indicating its significant role in inflammation modulation. Subsequent docking studies targeting COX-2, IL-6, and IL-1β revealed advantageous interactions, validated by MM-GBSA free energy analyses. Although COX-1, crucial for normal physiological function, was also inhibited, no adverse effects were noted, suggesting that the extract may function as a nonselective COX inhibitor similar to indomethacin. These findings highlight the therapeutic potential of H. sanjappae as a natural source of anti-inflammatory agents that target different pathways.