Organoselenium-based Schiff bases and amidic acid derivatives as promising anticancer agents targeting breast cancer by downregulating BCL-2: design, synthesis, and biological evaluation. (PubMed, RSC Adv)
Among them, HB183, HB209, and HB210 exhibited the most potent growth inhibition (GI) activity, with average values of 78.25%, 76.34%, and 79.14%, respectively-surpassing the reference drug doxorubicin (61.89%)...Molecular docking, molecular dynamics simulation (for 500 ns), and MM-GBSA calculations for the lead analogue (HB183) towards the BCL-2 target, as a crucial one in the pathway of apoptosis induction, were performed to support the mechanistic investigation. These findings suggest that HB183 is a promising lead for further development as a selective and potent anticancer agent, particularly in the treatment of breast cancer.