Synthesis of 1,2,3-Triazole-Containing 2,3-Dihydrofuran Derivatives, Evaluation of Anticancer Activity and Molecular Docking Studies

ABSTRACT

A simple and convenient one-pot three-component method to synthesize 1,2,3-triazole-based 2,3-dihydrofuran derivatives from the condensation of 5,5-dimethylcyclohexane-1,3-dione, substituted phenacyl bromide, triethylamine and 1,2,3-triazole based benzaldehyde using a mixture of CH3CN/water as a reaction medium is described. The current protocol delivers numerous advantages such as good yield, short reaction time, easy work-up and simplicity in the procedure as it uses a green method and an eco-friendly catalyst. The target compounds are screened for their in-vitro anticancer activity and most of the compounds are found to exhibit promising activity compared to standard drug Doxorubicin. Molecular docking studies performed on caspase-3 and COVID-19 main protease revealed well defined binding interactions and docking scores.