Bioevaluation of spiro N-propargylic β-enaminones as anti-breast cancer agents: Cell cycle and molecular docking studies.

The study aimed to investigate the in vitro inhibitory activities of spiro N-propargylic β-enaminones (SPEs) (1-31) against breast cancer cells (BCa). Cytotoxic activity was investigated via MTT assay. DNA fragmentation was evaluated via ELISA assay. Cell cycle distributions were investigated by flow cytometry. Expression levels of Bcl-2, Bax, p21 and Cyclin D1 were measured by qRT-PCR and western blot analysis. Autodock/vina software was used to understand the interaction between the SPEs and the ERα, PR, EGFR, and Her2. ADMETlab 2.0 tool was used to determine the drug-likeness properties. Notably, SPEs 1, 22, and 28 displayed selective cytotoxicity and apoptosis against BCa cells. They arrested the cell cycle at the S phase, inducing p21 and Cyclin D1. SPE1, SPE22, and SPE28 exhibited strong affinity for BCa receptors and drug-like properties. Pending in vivo validation with safety assurance for human health, these compounds hold potential as chemotherapy candidates.