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Synthesis and Docking Studies of Some 1,2,3‐Benzotriazine‐4‐one Derivatives as Potential Anticancer Agents
Author(s) -
Fadda Ahmed A.,
AbdelLatif Ehab,
Fekri Ahmed,
Mostafa Amal R.
Publication year - 2019
Publication title -
journal of heterocyclic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.321
H-Index - 59
eISSN - 1943-5193
pISSN - 0022-152X
DOI - 10.1002/jhet.3452
Subject(s) - chemistry , docking (animal) , active site , in vitro , stereochemistry , cancer cell lines , kinase , colorectal cancer , cancer cell , molecular model , amino acid residue , binding site , cell culture , combinatorial chemistry , biochemistry , cancer , enzyme , peptide sequence , medicine , nursing , gene , genetics , biology
Newly synthesized 1,2,3‐benzotriazine‐4‐one derivatives substituted at position‐3 were characterized by various analytical and spectral techniques. The in vitro antitumor activity was evaluated against three different cell lines (liver cells cancer, colorectal cancer, and breast cancer), where compounds 7b , 15 , and 25 showed strong antitumor activity with IC 50 ranging from 5.54 to 16.26 μM. In addition, molecular modeling studies using MOE were performed to investigate their binding modes to the C‐Met kinase active site. Docking results demonstrated that all new compounds recognized the active sites of C‐Met kinase and form different types of bonding interactions with key active site amino acid residues.