Apoptotic and Molecular Mechanisms of Carthamidin in Breast Cancer Therapy: An Integrated In Vitro and In Silico Study

The current study examines the anticancer properties of the chemical carthamidin in breast cancer through in-vitro and in silico analysis. This study’s results demonstrated that carthamidin strongly inhibited the proliferation of MCF 7 cells in vitro, as evidenced by an IC50 value of 128.65 µg/mL at 24 h, determined using the MTT test. Laser confocal microscopy utilizing AO/EB labeling validated apoptotic effects through upregulating pro-apoptotic cell markers. At the same time, the ROS assay demonstrated elevated ROS production in the treated cells. LDH leakage was corroborated by leakage analysis, revealing high LDH levels at 100 µg/mL. The cellular growth parameters were subsequently examined via flow cytometry, showing that the cell cycle was halted in the G0/G1 phase, with 82.9% of the cells residing there. The molecular docking research demonstrated that carthamidin displayed a significant binding affinity with Notch receptors – NOTCH 1–4 and p53, with binding scores ranging from − 5.027 to − 7.402 kcal/mol. The results suggest that carthamidin has therapeutic potential in inducing apoptosis and impairing cancer cells, warranting further investigation in breast cancer treatments.