1609584-52-2Relevant academic research and scientific papers
Synthesis, biological evaluation, and molecular docking studies of novel 2-styryl-5-nitroimidazole derivatives containing 1,4-benzodioxan moiety as FAK inhibitors with anticancer activity
Duan, Yong-Tao,Yao, Yong-Fang,Huang, Wei,Makawana, Jigar A.,Teraiya, Shashikant B.,Thumar, Nilesh J.,Tang, Dan-Jie,Tao, Xiang-Xiang,Wang, Zhong-Chang,Jiang, Ai-Qin,Zhu, Hai-Liang
, p. 2947 - 2954 (2014/05/20)
A series of 2-styryl-5-nitroimidazole derivatives containing 1,4-benzodioxan moiety (3a-3r) has been designed, synthesized and their biological activities were also evaluated as potential antiproliferation and focal adhesion kinase (FAK) inhibitors. Among all the compounds, 3p showed the most potent activity in vitro which inhibited the growth of A549 with IC 50 value of 3.11 μM and Hela with IC50 value of 2.54 μM respectively. Compound 3p also exhibited significant FAK inhibitory activity (IC50 = 0.45 μM). Docking simulation was performed for compound 3p into the FAK structure active site to determine the probable binding model.
Discovery and molecular modeling of novel 1-indolyl acetate - 5-Nitroimidazole targeting tubulin polymerization as antiproliferative agents
Duan, Yong-Tao,Sang, Ya-Li,Makawana, Jigar A.,Teraiya, Shashikant B.,Yao, Yong-Fang,Tang, Dan-Jie,Tao, Xiang-Xiang,Zhu, Hai-Liang
, p. 341 - 351 (2014/08/18)
A series of 18 novel 1-indolyl acetate-5-nitroimidazole 3a-3r were designed, synthesized, and evaluated for their in vitro biological activities as potential tubulin polymerization inhibitors. Among these compounds, 3p displayed strong antitumor activity with IC50 of 2.00, 1.05, 0.87 μM against A549, Hela and U251 respectively, and also showed the most potent PLK1 inhibitory activity with IC50 of 2.4 μM. Molecular docking studies within the colchicine binding site of tubulin were in good agreement with the tubulin polymerization inhibitory data and confirmed the importance of the configuration of the synthesized 1-indolyl acetate-5-nitroimidazolefor potential tubulin polymerization inhibitors.
