Cinnamamide-chalcone derivatives as CDK2 inhibitors: synthesis, pharmacological evaluation, and molecular modelling study

Thirteen novel cinnamamide-chalcone derivatives were synthesized and tested for their antiproliferative activity against MCF-7, K562, U-373MG, HT-29 cell lines using SRB assay. Eight compounds the in vitro CDK2 inhibition. Compounds 2g, 2h, 2k, 2l found to have IC50 < 10 µM CDK2. These four evaluated on EGFR kinase be two times more selective docked into Glide software. The docking studies revealed that Lys33 Leu83 crucial binding scores correlate well with values. We these EGFR, they had lower scores. Most interacted only Met769 EGFR. Molecular dynamic simulation was performed Desmond software, interactions 2k stable.