Synthesis,molecular modeling,and biological evaluation of quinazoline derivatives containing 1,3,4-oxadiazole scaffold as novel inhibitors of VEGFR2

摘要：

　　A series of 4-alkoxyquinazoline derivatives containing 1,3,4-oxadiaxole scafifold have been designed and synthesized,and their inhibitory activities were also tested against A549,MCF-7 and Hela.Of these compounds,2-(3,4-Dimethoxy benzy)-5-((quinazolin-4-yloxy)methyl)-1,3,4-oxadiazole(compound 4j)showed the most potent inhibitory activity(IC50 = 0.23 μM for MCF-7,IC50= 0.38 μM for A549 and IC50 = 0.32 μM for Hela)and the effect was better than the positive control drug Tivozanib(IC50= 0.38 μM for MCF-7,IC50= 0.62 μM for A549 and IC50 = 0.34 μM for Hela).Docking simulation was performed to position compound 4j into the VEGFR active site to determine the probable binding model,These results suggested that compound 4j with potent inhibitory activity in tumor growth inhibition may be a potential anticancer agent.

关键词： Quinazoline 1,3,4-oxdiazole VEGFR2 Anticancer

作者: Fang Qiao Yong Yin Yu-Ning Shen She-Feng Wang Shao Sha Xun Wu Ai-Min Lu Chen Xu Wei-Ming Zhang Hai-Liang Zhu

作者单位: State Key Laboratory of Pharmaceutical Biotechnology,Nanjing University,Nanjing 210093,People”s Repu College of Science,Nanjing Agriculture University,Nanjing 210095.People”s Republic of China Nanjing Institute for the Comprehensive Utilization of Wild Plant,Nanjing 210042,People”s Republic o

会议类型: 国内会议

会议名称: 第八届国际分子模拟与信息技术应用学术会议

会议地点: 大连

会议语种:英文

页码: 971-1000

在线出版日期: 2016-09-24（万方平台首次上网日期，不代表论文的发表时间）