Novel Furan-2(3H)-one derivatives as promising anticancer agents against liver and breast cancers cell lines: Green Synthesis, Spectroscopic analysis, in Vitro Antiproliferative Activity, and DFT study

Abstract Some new biologically active heterocyclic compounds were synthesized upon green reaction of (Z)-3-(benzo[d][1,3]dioxol-5-ylmethylene)-5-phenylfuran-2(3H)-one (L)with different electrophilic and nucleophile reagents under ultrasonic irradiation. The electronic structure of synthesized prepared materials was elucidated using FTIR, ¹H-NMR, ¹³C-NMR, and X-ray diffraction, elemental analysis, and melting point. The new compounds were examined for invitro ant proliferative action towards HepG-2, HCT116, MCF-7, and the normal human skin fibroblasts (BJ-1) cell lines. The results showed that: five investigated compounds could be considered as good selective ant proliferative candidate drugs for only human liver cancer as their effects on this cancer type are much more toxic compared to their toxicity on the human healthy cells. DFT Study of the new compounds showed that pyrrolone derivatives L3, L4, LN, and azapyrrolone L5 (pyrimidinone) have the maximum electron transfer for inhibition for cancer cells.