Phytochemical, antioxidant, and anticancer evaluation of Passiflora edulis leaf extract using in vitro and in silico approaches
TL;DR
The results suggest that the biological activity of P. edulis extract may be mediated through multi-target interactions with cancer-associated metabolic pathways, Nonetheless, moderate cytotoxic potency and basic extract evaluation justify further studies.
Abstract
Methanolic leaf extract of Passiflora edulis was characterized by its phytochemical composition and biological activities in an integrated in vitro and in silico approach. Qualitative phytochemical screening indicated that bioactive secondary metabolites such as flavonoids, saponins, and steroids were present. The DPPH activity increased in a dose-dependent manner, reaching 81% at the highest concentration, without implying a complete or maximal endpoint. The cytotoxic study in HepG2 human liver cancer cells revealed a moderate antiproliferative effect with an IC₅₀ value of 251 µg/mL. Gas chromatography–mass spectrometric analysis showed different phytoconstituents and 13-docosenamide (Z) as predominant, however hexadecane and N-isopropyl-3-phenylpropanamide were also present. Molecular docking studies showed moderate binding affinities (−6.5 to −7.8 kcal/mol) of selected compounds against the target protein, which represented PCSK9–LDLR complex. Significantly, N-isopropyl-3-phenylpropanamide demonstrated the most favorable binding interactions by engaging in both hydrogen bonding and hydrophobic interactions with key amino acid residues, indicating potential modulation of protein function. These results suggest that the biological activity of P. edulis extract may be mediated through multi-target interactions with cancer-associated metabolic pathways. Nonetheless, moderate cytotoxic potency and basic extract evaluation justify further studies.