Novel pyrimidine-triazole conjugates for targeted inhibition of EGFR: synthesis and biological evaluation

AIM: To design, synthesize, and evaluate novel pyrimidine-triazole derivatives as epidermal growth factor receptor (EGFR) inhibitors for anticancer activity. MATERIALS AND METHODS: ) were synthesized and assessed for cytotoxicity against A549 lung cancer cell line also performed EGFR inhibition assay. Molecular docking was performed on the ATP binding pocket of EGFR (PDB: 1XKK). RESULTS: showed a good binding score -8.93 kcal/mol and interactions with amino acid residues THR 854, THR 790, CYS 775, and PHE856. CONCLUSIONS: The results showed SM-1F may be used as a lead compound for further development of novel EGFR inhibitors.