A Click Synthesis, Molecular Docking and Biological Evaluation of 1,2,3-triazoles-benzoxazepine hybrid as potential anticancer agents

A series of novel 1,2,3-triazole-benzoxazepine hybrid molecules were synthesized and evaluated for their anticancer properties against four cancer cell lines (Caco-2, PC3, MCF-7, and HL60). Most of the synthesized compounds exhibited moderate to good cytotoxicity against tested cancer cell lines. Three of the prepared compounds, namely, 2, 3, and 4, showed excellent anticancer properties with micromolar IC50 values ranging from 6 to 18 mu M. In silico pharmacophore profiling followed by in-vitro enzyme assays showed 2, 3, and 4 to have micromolar inhibitory IC50 values against the oncogenic kinase FLT3. These compounds represent new inhibitory leads of novel chemotypes against FLT3. [Graphical ]

Automated summary

A series of novel 1,2,3-triazole-benzoxazepine hybrid molecules were synthesized and evaluated for their anticancer properties. Three compounds showed excellent anticancer properties with micromolar IC50 values against the oncogenic kinase FLT3.