Unveiling the therapeutic potential of Latania verschaffeltii Lem. (Arecaceae): phytochemical profiling, antioxidant and antiproliferative activities, and computational evaluations

In this study, five bioactive compounds were isolated from Latania verschaffeltii Lem. (Arecaceae). Among them, 6S,9S-roseoside (compound 5) exhibited significant antiproliferative activity against HepG2 and UO-31 cell lines, with IC₅₀ values of 16.69 and 9.25 µg/mL and selectivity indices of 7.68 and 4.26, respectively. Catechin (compound 2) showed strong activity, particularly against UO-31 cells, with a high selectivity index of 12.81, along with notable antioxidant activity (IC₅₀ = 0.89 µg/mL), and moderate cytotoxic effects against HepG2 (IC₅₀ = 6.83 and 30.69 µg/mL). Molecular docking studies indicated that both catechin and roseoside interact effectively with cytochrome c peroxidase, human topoisomerase IIα, and Bcl-2, suggesting potential mechanisms involving apoptosis induction and oxidative stress modulation. These findings were further supported by DFT calculations, molecular electrostatic potential mapping, frontier molecular orbital analysis, in silico ADMET predictions, and molecular dynamics. Taken together, catechin and 6S,9S-roseoside emerge as promising candidates for anticancer and antioxidant drug development.