Phytochemical profiling and antimelanoma activity of Balinese mace oleoresin with computational insights into BRAF inhibition

The chemical composition and antimelanoma activity of Balinese mace (Myristica fragrans) oleoresin were investigated. Ethanolic oleoresin (OL3) was analysed by GC-MS and LC-HRMS, leading to the tentative identification of 84 metabolites, mainly phenylpropanoids, diphenylalkanes, neolignans, and fatty acid esters. OL3 exhibited dose-dependent cytotoxicity against B16-F0 melanoma cells (IC50 = 282.80 ppm), characterised by apoptotic morphological features. The observed activity may result from synergistic interactions among multiple constituents within the oleoresin. Molecular docking and 100-ns molecular dynamics simulations against BRAF kinase (PDB: 6V34) suggested that Myfracone A and Myfracone G may interact stably with the target protein (RMSD < 3 Å). These findings provide preliminary insight into potential bioactive constituents of mace oleoresin and support further bioactivity-guided investigation.