Phytochemical profiling, in silico analysis and in vitro assessment of antioxidant and anticancer activities of methanolic extracts from Momordica cochinchinensis (Lour.) Spreng. leaf and fruit

• Momordica cochinchinensis leaves and fruits showed high phenolic and flavonoid content. • Saponins were most abundant in leaf extracts compared to fruits. • Leaf extracts exhibited stronger antioxidant activity in DPPH and FRAP assays. • Untargeted Liquid Chromatography-High Resolution Mass Spectrometry metabolomics identified polyphenols and saponins in leaves and seeds. • In silico analysis revealed stable interactions of piperitol with target proteins. Momordica cochinchinensis (Gac) is a nutrient-rich Cucurbitaceae plant with notable therapeutic and anti-oncogenic potential. This study investigated the phytochemical profile, antioxidant, and anticancer properties of its methanolic leaf and fruit extracts using ultrasound-assisted extraction. Total phenolic, flavonoid, and saponin contents were quantified, with leaf extracts showing higher values and stronger antioxidant activity (DPPH, FRAP). Cytotoxicity assays on LN229 glioblastoma cells revealed significant viability reduction (IC₅₀: 0.48–0.92 mg/mL) after the extracts treatment. Further, leaf extract showed 80% inhibition of cell migration in wound healing assay. LC-Q-Orbitrap-MS–based metabolomics identified diverse phytochemicals. Molecular docking highlighted Piperitol, 7-Hydroxy-5-Methoxy-6-Methylflavan, and Nogiragenin with strong affinities toward glioblastoma targets EGFR, PTEN, and TTN. Molecular dynamics simulations confirmed Piperitol’s stable binding, supporting its role as a potent inhibitor. Overall, M. cochinchinensis shows promise as a functional food and therapeutic source against glioblastoma due to its rich bioactive profile and strong antioxidant and anticancer activities.