Potential Anticancer Activity and Molecular Docking studies of Plant-derived Molecules from Fernandoa adenophylla against Glioblastoma (U87) Cell Line

Glioblastoma multiforme (GBM) is a highly aggressive brain tumor with a dismal prognosis and limited treatment options. This study explores the anticancer potential of bioactive compounds isolated from Fernandoa adenophylla, a plant renowned for its medicinal properties. We isolated and characterized several phytochemicals from the heartwood roots of Fernandoa adenophylla and evaluated their efficacy against the U87 glioblastoma cell line using both experimental and in silico approaches. The isolated compounds included naphthoquinones and triterpenoids. Among them, Alpha-lapachone (DD) demonstrated the highest anticancer activity, achieving a maximum tyrosinase inhibition of 63.97% at 75 µg/mL after 48 hours. Other compounds, such as Lapachol (AA), Peshawaraquinone (EE), Dehydro-a-lapachone (BB), and Indanone derivatives (CC), also showed significant inhibition but were less effective. Notably, all tested compounds were non-toxic at the concentrations studied, unlike cycloheximide, which had a cytotoxic IC50 value of 0.8 ± 0.5 µg/mL. Furthermore, molecular docking studies on the 3D crystallographic structure of EFGRWT tyrosine kinase revealed notable interactions with key amino acid residues located within the active site. These results highlight the potential of Fernandoa adenophylla compounds as promising therapeutic agents for GBM, suggesting further research into their mechanisms and therapeutic applications.