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In Vitro Anticancer and In Silico Studies of Some 1,4‐Benzoxazine‐1,2,4‐oxadiazole Hybrids
Author(s) -
Nagaraju Ashwini,
Kumar Nukala Satheesh,
Narasimha Swamy Thirukovela T.,
Manchal Ravinder
Publication year - 2021
Publication title -
chemistryselect
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.437
H-Index - 34
ISSN - 2365-6549
DOI - 10.1002/slct.202100198
Subject(s) - hela , oxadiazole , in silico , in vitro , chemistry , protein data bank (rcsb pdb) , stereochemistry , etoposide , combinatorial chemistry , biochemistry , biology , organic chemistry , chemotherapy , genetics , gene
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 IC 50 values of 3.98, 3.41, 6.82 and 3.82 μM 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).