In Silico Analysis of Ethyl Acetate Bruguiera Gymnorhiza Leaf Extracts as an Anti-Inflammatory Agent

This study evaluates the anti-inflammatory potential of bioactive compounds from Bruguiera gymnorhiza leaves using ethyl acetate through in silico analysis. Fifteen compounds were identified, all exhibiting anti-inflammatory properties according to PASS Server analysis. SwissADME and ProTox III assessments showed favorable drug-likeness and ADME potential, with varying toxicity levels. Molecular docking indicated that elemicin and lauric acid formed hydrogen bonds with the IKKβ receptor, with binding energies of -4.4 kcal/mol and -6.6 kcal/mol, respectively, suggesting significant anti-inflammatory activity. These results support the potential development of anti-inflammatory drugs from B. gymnorhiza leaf extracts.