Anti‐Inflammatory Potential of Key Phytochemicals From Humboldtia sanjappae : In Vivo Studies and Molecular Docking With MM‐GBSA Analysis
Jameema Sidhic, Madhu Tanya Singh, Sruthi Mohan C. K., Aparna Prasad, Paromita Sarbadhikary, Praveen Thaggikuppe Krishnamurthy, Sulaiman C. T., Arunaksharan Narayanankutty, Heidi Abrahamse, Satheesh George, Blassan P. GeorgeABSTRACT
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.