Abstract
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•Synthesis of 2-cyanoacrylamide based p-fluorophenyl and p-phenolic compounds.•All structures were confirmed based on the different spectral tools.•MTT assay was performed against the four cell lines (A549, MCF7, Hepg2, Wi38).•Simulation and molecular studies were done against liver carcinoma.•Cell cycle and apoptosis analysis, DPA assay, relative gene expression, and ELISA assay were used.
An efficient route for the preparation of new heterocyclic cyanoacrylamides based p-fluorophenyl and p-phenolic compounds was depicted. All structures were confirmed based on the different spectral tools and elemental analyses. MTT assay for the novel synthesized series was performed against four different cell lines (A549, MCF7, Hepg2, and Wi38). Among all tested groups, the p-phenolic compound 10 (207.1 µg/ml) and the corresponding p-fluorophenyl derivative 6 (325.7 µg/ml) were selected for further simulation and molecular studies against liver carcinoma. Compounds 6 and 10 were investigated theoretically to different protein sets as (cdk2, Bcl2-xl, cIAP1-BIR3, and MDM2) and they illustrated different binding affinities. The computational studies and different molecular techniques (e.g. cell cycle analysis, DPA assay, relative gene expression, and ELISA assay) were utilized in this report.