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  • Title: 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.
    Author: Duan YT, Yao YF, Huang W, Makawana JA, Teraiya SB, Thumar NJ, Tang DJ, Tao XX, Wang ZC, Jiang AQ, Zhu HL.
    Journal: Bioorg Med Chem; 2014 Jun 01; 22(11):2947-54. PubMed ID: 24792811.
    Abstract:
    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 IC50 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.
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