Synthesis of Chromene Based 1,2,4-Oxadiazoles: In Vitro Anticancer, Molecular Docking, and ADMET Studies

Abstract— In search of the better anticancer agents, a series of chromene based 1,2,4-oxadiazoles derivatives were synthesized using 6-fluoro-4-oxo-4H-chromene-2-carboxylic acid and readily available substituted benzonitrile. The newly synthesized derivatives were evaluated for their in vitro cytotoxic activity against MCF-7 and HeLa. Among the screened compounds, three compounds like 6-fluoro-2-(3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl)-4H-chromen-4-one (5g), 4-(5-(6-fluoro-4-oxo-4H-chromen-2-yl)-1,2,4-oxadiazol-3-yl)benzonitrile (5h), and 6-fluoro-2-(3-(3-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-5-yl)-4H-chromen-4-one (5l) were found to be active against tested the cell lines. Molecular docking and ADME studies have also been conducted to complement the experimental results.