In Vitro Anticancer and In Silico Studies of Some 1,4-Benzoxazine-1,2,4-oxadiazole Hybrids

摘要

The one-pot synthesis of some new 1,4-benzoxazine-1,2,4-oxadiazole hybrids (4 a-4 n) through the reaction between 3-(3-oxo-2H-benzo[b][1,4]oxazin-4(3H)-yl)propanenitrile and several aromatic carboxylicacids was reported herein. Five of them showed promising in vitro anticaner activity over A549 (lung), PC3 (prostate), HeLa (cervical) and MCF-7 (breast) when compared with Etoposide. Predominantly, the compound 4 g has shown most promisng activity against A549, PC3, HeLa and MCF-7 with IC50 values of 3.98, 3.41, 6.82 and 3.82 mu M respectively. In addition, in silico studies of derivatives (4 a-n) on EGFR receptor recommended that the more potent compound 4 g strongly binds to protein EGFR (pdb id : 4HJO).