Antioxidant Activity, LC-MS/MS Identification, and In Silico Analysis of the Ethanol Extract of Beneng Taro Leaves (Xanthosoma undipes K. Koch) Grown in Three Different Locations (Early view)

Abstract

Xanthosoma undipes K. Koch (Beneng taro) leaves are rich in bioactive compounds with reported antioxidant and anticancer potential. This study evaluated the antioxidant activity of ethanol extracts from Beneng taro leaves cultivated in three locations, identified active compounds using liquid chromatography–tandem mass spectrometry (LC-MS/MS), and assessed their anticancer potential through in silico analysis. Extraction was performed with 96% ethanol, followed by phytochemical screening, quantification of total flavonoids and phenolics, and antioxidant evaluation using the DPPH assay. LC-MS/MS identified several bioactive phenolic and flavonoid compounds, including quercetin, isorhamnetin, hispidulin, oleocanthal, and cyclovalone, as key contributors to antioxidant activity. Leaves from high-altitude Cisarua (TB-1) had the highest flavonoid (94.49 ± 1.61 mg QE/g) and phenolic (97.35 ± 1.74 mg GAE/g) contents, with the strongest antioxidant activity (IC?? = 42.96 ?g/mL). Drug-likeness screening indicated favorable pharmacokinetic properties for several compounds. Molecular docking revealed strong binding affinities of quercetin, isorhamnetin, hispidulin, cochliophilin A, cyclovalone, and oleocanthal to Kirsten rat sarcoma viral oncogene homolog (KRAS), a key oncogenic protein regulating cell growth, division, and mutation, suggesting potential anticancer effects. These findings indicate that cultivation at higher altitudes enhances bioactive compound levels and antioxidant potential. Future studies should isolate active compounds, validate their effects in vivo, optimize cultivation practices, and explore their development into functional foods or nutraceuticals.