Discovery of new thieno[2,3-]pyrimidines as EGFR tyrosine kinase inhibitors for cancer treatment.

EGFR has been considered a vital molecular target in cancer management. The discovery of new thieno[2,3-]pyrimidine derivatives as EGFR tyrosine kinase inhibitors. Nine derivatives were designed, synthesized and subjected to and studies. Compound significantly inhibited the growth of HepG2 and PC3 cells for both EGFR wild-type and EGFR. Compound caused a significant apoptotic effect, arresting HepG2 cells' growth in the S and G2/M phases. Docking and molecular dynamics simulation studies confirmed the correct and stable binding modes of the synthesized compounds against the active sites. Compound is a promising dual EGFR inhibitor for cancer treatment.