In vitro and in silico investigation of the cytotoxic potential of Tanacetum armenum (DC.) Sch.Bip. Extracts against human breast cancer MCF-7 cells

Introduction: The genus Tanacetum has a long history of use and is well known for its traditional applications in food, medicine, cosmetics, and agriculture. The biological effects of Tanacetum armenum were investigated, and its phytochemical profiles were analysed. Methods: Phytochemical analysis was conducted using liquid chromatography-mass spectrometry/mass spectrometry, and antioxidant, target enzyme inhibition, and antigenotoxic effects were evaluated. The antiproliferative effects and mechanisms of the extracts were investigated in vitro, and the possible mechanisms of the main compounds were analysed in silico. Results: Phytochemical profile analysis revealed significantly higher levels of chlorogenic acid (64.894 mg/g extract), quinic acid (45.377 mg/g extract), and 1,5-dicaffeoylquinic acid (18.150 mg/g extract). The methanol extract (IC50:116.56 ± 2.84 µg/mL) exhibited strong tyrosinase enzyme inhibition than ethylacetate (IC50:184.04 ± 3.02 µg/mL) and aqueous extracts (IC50:340.84 ± 3.46 µg/mL). The aqueous extract (IC50:328.23 ± 4.22 µg/mL) showed the highest inhibition of acetylcholinesterase, while the methanol extract (IC50:504.87 ± 4.78 µg/mL) demonstrated the highest inhibition of butyrylcholinesterase. The ethylacetate extract exhibited the strongest antimicrobial effect against Staphylococcus aureus, with a MIC value of 62.5 µg/mL. The extracts did not show any genotoxic effects. The ethyl acetate extract exhibited significant cytotoxic effects (IC50:25.00–108.16 µg/mL) against cancer cell lines (p < 0.001). To investigate the mechanism by which the extracts inhibit MCF-7 cell viability, the expression levels of the cyclin E1 and caspase-8 were evaluated using western blot analysis. In addition, a colony formation assay was performed, and migration potential was analysed using a scratch wound healing assay. Using in silico approaches, the molecular docking and binding parameter values of cyclin E1 and caspase-8 were calculated. Chlorogenic acid was found to have the best binding value and mode of in silico interaction with the target crystal structures. The docking scores calculated from these binding parameter values were -7.824 kcal/mol for the cyclin E1 (8H6P) target, -7.126 kcal/mol for the caspase-8 (3KJQ) target, and -8.182 kcal/mol for the human oestrogen receptor (3ERT) target. Conclusion: T. armenum, which has demonstrated a strong cytotoxic effect through in vitro and in silico mechanism studies, can be considered a promising potential natural resource for cancer treatment. © 2026 Elsevier GmbH