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 (4a–4n) 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 4g 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 μM respectively. In addition, in silico studies of derivatives (4a–n) on EGFR receptor recommended that the more potent compound 4g strongly binds to protein EGFR (pdb id : 4HJO).