Synthesis, Anticancer Activity, ADMET, DFT, Molecular Docking and Molecular Dynamics Study of Pyrazole-Incorporated Monocarbonyl Curcumin Analogues

Curcumin holds promise as an anticancer agent but is hindered by limited stability and bioavailability. To overcome these challenges, a series of monocarbonyl curcumin analogues featuring a pyrazole scaffold were synthesized and evaluated for their anticancer potential. The analogues <b>5 m</b> and <b>5o</b> exhibited superior cytotoxicity against breast cancer cells compared to curcumin. Furthermore, apoptosis induction was validated through advanced imaging techniques, and computational studies offered insights into their pharmacokinetic and pharmacodynamic profiles. These findings identify synthesized analogues as a promising lead compounds for further optimization in anticancer drug development.