Author: H. Kartikaningsih, H. Djamaludin, D. Arisandi, M. G. Ahmad, C. D. Kurniawan, J. E. Tambunan, H. I. Fathoni and M. P. Koentjoro

DOI: http://doi.org/10.31788/RJC.2026.1929640

Sonneratia caseolaris, a mangrove species traditionally known for its antioxidant properties, requires molecularlevel investigation to clarify its bioactivity mechanisms. This study evaluated the antioxidant potential of activecompounds from S. caseolaris aqueous leaf extract using molecular docking and toxicity prediction against humanprotein targets related to oxidative stress. Docking results demonstrated that several phytochemical compoundsexhibited strong binding affinities and stable interactions with target proteins, indicating their potential to modulateoxidative stress pathways. Comparative analysis showed binding performance comparable to standard antioxidant ligands. Toxicity prediction further revealed favourable safety profiles, with most compounds categorised as lowrisk and pharmacologically acceptable candidates. These findings provide molecular evidence supportingthetraditional medicinal use of S. caseolaris and identify specific compound–protein interactions underlyingitsantioxidant activity. The study bridges ethnomedicinal knowledge with computational drug discovery approachesand highlights mangrove-derived phytochemicals as promising antioxidant candidates for further experimental validation and future therapeutic development targeting oxidative stress–related diseases.

Keywords: Drug Discovery, In Silico Toxicity Prediction, Molecular Docking, Natural Antioxidants, OxidativeStress, Phytochemical Compounds, Sonneratia Caseolaris.