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

被引：23

作者：

Duan, Yong-Tao ^{[1
]}

Yao, Yong-Fang ^{[1
]}

Huang, Wei ^{[1
]}

Makawana, Jigar A. ^{[1
]}

Teraiya, Shashikant B. ^{[1
]}

Thumar, Nilesh J. ^{[1
]}

Tang, Dan-Jie ^{[1
]}

Tao, Xiang-Xiang ^{[1
]}

Wang, Zhong-Chang ^{[1
]}

Jiang, Ai-Qin ^{[2
]}

Zhu, Hai-Liang ^{[1
]}

机构：

[1] Nanjing Univ, Sch Life Sci, State Key Lab Pharmaceut Biotechnol, Nanjing 210093, Jiangsu, Peoples R China

[2] Nanjing Univ, Sch Med, State Key Lab Pharmaceut Biotechnol, Nanjing 210093, Jiangsu, Peoples R China

来源：

BIOORGANIC & MEDICINAL CHEMISTRY | 2014年 / 22卷 / 11期

关键词：

2-Styryl-5-nitroimidazole derivatives; Focal adhesion kinase; Structure-activity relationship; Molecular docking; FOCAL ADHESION KINASE; PANCREATIC-CANCER; DECREASES GROWTH; 1,4-BENZODIOXAN; TARGET; AGENTS; APOPTOSIS; THERAPY;

D O I：

10.1016/j.bmc.2014.04.005

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

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 mu M and Hela with IC50 value of 2.54 mu M respectively. Compound 3p also exhibited significant FAK inhibitory activity (IC50 = 0.45 mu M). Docking simulation was performed for compound 3p into the FAK structure active site to determine the probable binding model. (C) 2014 Elsevier Ltd. All rights reserved.

引用

页码：2947 / 2954

页数：8

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