DOI: https://doi.org/10.55373/mjchem.v28i2.80

Keywords: Bioactivity, GC-MS, LC-HRMS, Molecular-docking, Myristica fragrans

Abstract

This study integrates GC-MS/LC-HRMS profiling with antioxidant and antiproliferative assays to map fraction-resolved chemistry of Myristica fragrans leaves. Phytochemical screening indicated non-polar metabolites in the hexane fraction and phenolic enrichment (including flavonoid-type constituents) in the ethyl acetate and butanol fractions. GC-MS captured volatile/non-polar features, while LC-HRMS covered semi-polar phenolics. Ethyl acetate showed the strongest DPPH scavenging (IC₅₀ 23.9 µg/mL), whereas hexane exhibited the lowest cytotoxic IC₅₀ (131.125 µg/mL) on MCF-7. Activity correlated with solvent polarity; phenolic-rich fractions displayed stronger antioxidant effects, while non-polar constituents aligned with greater whole-cell responses. Molecular docking qualitatively supported these trends by indicating stable interactions of representative phenolics within antioxidant-relevant sites. This work provides a first integrated link between fraction chemistry and bioactivity for M. fragrans leaves, highlighting the ethyl acetate fraction as a source of antioxidants and the hexane fraction as an antiproliferative-oriented lead. Limitations include a single cancer cell model and in silico inference; future isolation and mechanistic studies are warranted.