Antioxidant and Anticancer Activity of Garcinol Isolated from Garcinia maingayi Hook and Molecular Modeling Studies

This study aims to isolate the active compound in the n-hexane fraction of G. maingayi stem bark and evaluate its bioactivity. Isolation was carried out using conventional column chromatography methods. Structural elucidation of the compounds was characterized using 1H-NMR, 13C-NMR, and LC-ESI-MS/MS spectroscopy. The pure compound isolated was garcinol in the form of pale yellow needle crystals with a molecular weight of QTOF LC-ESI-MS/MS m/z [M+H]+ = 603.3710 and [M+Na]+ = 625.3710 and the molecular formula C38H50O6. Garcinol's bioactivity was determined by an antioxidant activity assay using the DPPH method and proliferative inhibition of MCF-7 breast cancer cells using the MTT method. The antioxidant and anticancer activity of MCF-7 garcinol is quite strong, with IC50 values of 16.44 and 19.13µg/mL. Garcinol can bind to the a-estrogen receptor ERT, according to molecular docking studies. These findings suggest that garcinol, with a binding energy of -6.24kcal/mol and an inhibition constant of 26.7µM, plays an important role in the interaction with human a-estrogen receptors.