Synthesis, Cytotoxic Activity, Crystal Structure, DFT, Molecular Docking Study of β-Enaminonitrile Incorporating 1H-Benzo[f]Chromene Moiety

In this work, we used microwave irradiation conditions to synthesize β-enaminonitrile (4), which was affirmed using single crystal X-ray diffraction and the different spectral data. Two tumor cell lines, MCF-7 MCF-7/ADR, as well two normal HFL-1 WI-38, were assess anticancer activity of compound 4. The studied molecule exhibited potent efficacy against MCF-7/ADR lines compared with reference drugs. Furthermore, target 4 had feeble WI-38. chemical reactivity discussed DFT QTAIM analysis study intrinsic electronic properties A molecular docking also conducted examine their binding affinity EGFR. Compound revealed a stable mode at enzyme active pocket more than inhibitor. performed for (4).