In silico study of centella asiatica active compounds as anti-inflammatory agent by decreasing IL-1 and IL-6 activity, promoting IL-4 activity

Inflammatory is cascade process triggered by pro-inflammatory cytokines (IL-1 and IL-6) and anti-inflammatory cytokines (IL-4). Centella asiatica is known for has been studied fot its anti-inflammatory properties. The docking studies was used in the study to evaluate interaction between Centella asiatica active compound with IL-1α, IL-1β, IL-6, and IL-4. Based on docking results, asiaticoside and batulinic acid had binding energy for IL-1α respectively-14.4199 kcal/mol and-12.3706 kcal/mol. In IL-1β docking, there were asiaticoside, madasiatic acid, and terminolic acid with binding energy-11.9288;-11.3074; and-11.2061 kcal/mol respectively. Asiaticoside bound into receptor active site Gln 141 of IL-1β. Asiatic acid, madecassic acid, and asiaticoside in IL-6 docking had binding energy-9.8244;-9.7071; and-9.0171 kcal/mol respectively. The three ligand bound into IL-6 receptor active site Arg179. IL-4 reacted to madecassic acid, termolinic acid, and asiaticoside with binding energy-12.6151;-12.5650; and-11.7490 kcal/mol respectively. The three ligands bound to receptor binding site IL-4 Lys102. Centella asiatica active compounds (asiaticoside, termolinic acid, madecassid acid, asiatic acid, batulinic acid, and madasiatic acid) interacted significantly with inflammatory cytokines (IL-1α, IL-1β, IL-6, and IL-4). Madecassic acid, asiticoside, asiatic acid, madasiatic acid, and terminolic acid inhibit the pro-inflammatory cytokines by binding to receptor active site of IL-1β and IL-6. Madecassic acid, terminolic acid, and asiaticoside enhance anti-inflammatory cytokines by binding to IL4 receptor binding sites.