“Synthesis and Molecular Docking Studies of New Amide Containing 6‐Aminothiazole Derivatives of Flavone as Potent Anticancer Agents.”

Abstract A series of structurally novel alkyl and aryl amide derivatives of 6‐(aminothiazole)‐substituted flavones were rationally designed and synthesized. The chemical structures of the synthesized compounds were confirmed through comprehensive spectroscopic characterization. Their antiproliferative activity was assessed in vitro using the MTT assay against three human cancer cell lines: HeLa (cervical carcinoma), Hep3B (hepatocellular carcinoma), and MCF‐7 (breast carcinoma). Among the evaluated derivatives, compounds 10a , 10b , and 11e exhibited pronounced cytotoxic effects, particularly against the MCF‐7 cell line. Compound 11e demonstrated the highest potency, with an IC₅₀ value of 17.42 µM, exceeding the activity of the reference drug methotrexate. These results indicate that 6‐(aminothiazole)‐flavone hybrids, particularly compound 11e , represent promising lead candidates for further development as anticancer agents. Two novel alkyl ( 10a and 10b ) and five aryl amide ( 11a – 11e ) derivatives of 6‐(aminothiazole)‐substituted flavones have been synthesized and characterized.