Synthesis,biological evaluation and molecular modeling of 1H-benzo”d”imidazole derivatives as novel anti-tubulin polymerization agents
A series of novel compounds(8a-21b)were designed and synthesized based on lH-benzo”d”imidazole.Their biological activities were evaluated as potential tubulin polymerization inhibitors and anticancer agents.Among all the compounds,compound 18b showed the most potent in vitro growth inhibitory activity against A549,MCF-7,K562 cancer cell lines,with IC50 values of 0.12 μM,0.15 μM,0.21 μM,respectively.And,compound 18b also exhibited significant tubulin polymerization inhibitory activity(IC50=2.1 μM),which was comparable with the positive control.Furthermore,docking simulation and 3D-QSAR modeling of inhibitor analogues provide determination of the probable binding model and an important basis that compound 18b with potent inhibitory activity in tumor growth may be a potential anticancer agent.
1H-benzo”d”imidazole Anticancer activity Tubulin inhibition Molecular docking
Fang Wang Xue Wang Min-Xia Zhang Yong-Hna Yang Hai-Liang Zhu
State Key Laboratory of Pharmaceutical Biotechnology,Nanjing University,Nanjing 210093,People”s Republic of China
国内会议
大连
英文
876-913
2016-09-24（万方平台首次上网日期，不代表论文的发表时间）