Phytochemical Analysis Using LC-MS/MS and Anticancer Activity of Asphodelus tenuifolius Roots: Cell Cycle Arrest, Apoptosis, and In Silico Insights.

Asphodelus tenuifolius Cav. (Asphodelaceae) is traditionally used in North African ethnomedicine for inflammatory and oxidative stress-related disorders. In this study, the hydroethanolic root extract was investigated by LC-HRMS/MS, leading to the identification of 58 metabolites, mainly flavonoids, anthraquinones, and cinnamic acid derivatives. Major constituents included luteolin, emodin, luteolin-7-O-β-D-glucoside, subaphyllin (N-trans-feruloylputrescine), and N-trans-feruloyltyramine. The extract showed moderate antiproliferative activity against MDA-MB-231 and PC-3 cells, while flow cytometry revealed pronounced apoptosis induction (up to 85%) and significant G0/G1 cell-cycle arrest. Molecular docking and target prediction suggested multitarget modulation of ERα, AR, AKT1, CDK2, and BCL-2, particularly by aglycone metabolites. ADMET analysis indicated favorable drug-likeness and safety profiles. These findings provide the first mechanistic evidence supporting the multitarget anticancer potential of A. tenuifolius roots and highlight their value as a source of bioactive anticancer scaffolds.