Biological activity of <i>Drynaria quercifolia</i> (Polypodiaceae) rhizome extract phytocompounds against A549 lung cancer cells: A molecular docking study

This study investigates the bioactive compounds in <i>Drynaria quercifolia</i> rhizome extract through Gas Chromatography–Mass Spectrometry (GC–MS) and Ultra-Performance Liquid Chromatography–Tandem Quadrupole Mass Spectrometry (UPLC–TQD–MS) to elucidate their therapeutic potential. <i>In silico</i> approaches were utilized to determine the mode of action of these phytocompounds, while their anti-cancer properties were evaluated through <i>in vitro</i> cell culture-based assays. GC–MS analysis confirmed the presence of essential fatty acids, hydrocarbons, sugar molecules, and various organic compounds, whereas UPLC–TQD–MS identified key metabolites, including naringenin–7–O–glucoside, caffeic acid–3–O–glucoside, p-coumaric acid–O–hexoside, and scutellarin. The rhizome extract demonstrated remarkable reducing power and potent antioxidant activity. Molecular docking studies revealed strong binding affinities of the identified phytocompounds to lung cancer receptors, suggesting their potential as therapeutic agents. Cytotoxicity assessments using MTT assays on A549 lung cancer cells determined an IC₅₀ value of 75.56 µg/mL, indicating a strong anti-cancer property. Also, morphological evaluations using AO/EtBr and DAPI staining confirmed apoptosis induction, as evidenced by nuclear fragmentation and structural abnormalities characteristic of both early and late apoptotic stages. Overall, these findings emphasize <i>D. quercifolia</i> rhizome extract as a promising natural source of bioactive compounds with significant therapeutic potential against lung cancer.