Apoptotic Induction by 1,5-Diaryl-1,4-pentadien-3-one Derivatives in the HL60 Cell Line: In Vitro and In Silico Expression.

BACKGROUND/AIM: ] using cell viability assay and induction of apoptosis. MATERIALS AND METHODS: The anticancer activity was checked against the HL-60 cell line using an MTT assay, followed by apoptotic assay, molecular docking, and molecular dynamics (MD) simulation studies. The Desmond simulation package of Schrodinger (v.2022-1) was employed to perform MD simulations analysis. RESULTS: and doxorubicin in complex with topoisomerase IIb indicated stabilization of the topoisomerase IIb complex over time. CONCLUSION: Naphthol AS-BI 2 exhibits significant antileukemic activity and warrants further investigation to explore its clinical potential in leukemia therapy.