Anti-inflammatory effect of Isoniazid and Plant Extract: Promising Results and Future Research

This study investigates the topical anti-inflammatory effects of synthetic compounds using the xylene-induced ear edema model in Swiss albino mice. The standard anti-inflammatory drug, Indomethacin, demonstrated significant efficacy (87.65%), with Isoniazid showing comparable activity, indicating its potential for repurposing as an anti-inflammatory agent. To explore the molecular mechanisms underlying these effects, molecular docking and quantum chemical calculations were performed. The analysis revealed that Indomethacin had stronger binding in aqueous environments (-6.33kcal/mol) compared to the gas phase (-5.86kcal/mol), suggesting enhanced affinity due to solvation effects through ionic and hydrogen bonding with ARG 120 (A) and SER 530 (A). In contrast, Isoniazid displayed nearly identical binding affinities in both phases (-5.02 kcal/mol), indicating minimal solvent influence on its interactions. Comparative studies with flavonoid-based ligands from Inula viscosa showed that these flavonoids had stronger and more stable receptor binding, primarily through multiple hydrogen bonds and π-stacking interactions. Among the flavonoids, 3-O-Acetyl-7-O-methylaromadendrin exhibited the highest affinity (-7.53kcal/mol), forming strong hydrogen bonds with ARG 120(A). Other flavonoids, 7-O-Methylaromadendrin and Sakuranetin, also demonstrated high binding affinities. These findings highlight the potential of flavonoids, alongside Isoniazid, as promising anti-inflammatory agent.