The synthesis of some new quinoxaline derivatives (
IVa
–
n
) and their structure determination using
1
H NMR,
13
C NMR and mass spectral analysis was described herein. The in vitro anti-cancer activity of the these compounds (
IVa–n
) revealed that the compound1-((1-(4-bromophenyl)-1
H
-1,2,3-triazol-4-yl)methyl)-2-(tetrazolo[1,5-
a
]quinoxalin-4-yl)pyrazolidine-3,5-dione (
IVd
) has shown promising activity, whereas, compounds 1-((1-phenyl-1
H
-1,2,3-triazol-4-yl)methyl)-2-(tetrazolo[1,5-
a
]quinoxalin-4-yl)pyrazolidine-3,5-dione (
IVa
), 1-(tetrazolo[1,5-
a
]quinoxalin-4-yl)-2-((1-(
m
-tolyl)-1
H
-1,2,3-triazol-4-yl)methyl)pyrazolidine-3,5-dione (
IVb
), 1-((1-(3,5-dimethoxyphenyl)-1
H
-1,2,3-triazol-4-yl)methyl)-2-(tetrazolo[1,5-
a
]quinoxalin-4-yl)pyrazolidine-3,5-dione (
IVh
) and 1-((1-(4-nitrophenyl)-1
H
-1,2,3-triazol-4-yl)methyl)-2-(tetrazolo[1,5-
a
]quinoxalin-4-yl)pyrazolidine-3,5-dione (
IVi
) exhibited good to moderate activity against four human cancer cell lines such as HeLa, MCF-7, HEK 293T, and A549 as compared to the doxorubicin. Predominantly, the compound displayed excellent activity over HeLa, MCF-7, HEK 293T, and A549 with IC
50
values of 3.20 ± 1.32, 4.19 ± 1.87, 3.59 ± 1.34, and 5.29 ± 1.34 μM, respectively. Moreover, molecular docking studies of derivatives (
IVa
–
n
) on EGFR receptor suggested that the most potent compound strongly binds to protein EGFR (pdbid:4HJO) and the energy calculations of in silico studies were also in good agreement with the obtained IC
50
values.
Supplementary Information
The online version contains supplementary material available at 10.1134/S1068162022030220.