Synthesis,molecular modeling and biological evaluation of cinnamic acid derivatives with pyrazole moieties as novel anticancer agents
A series of pyrazole derivatives(1e-30e)has been designed and synthesized,and their biological activities were evaluated for EGFR and HER-2 inhibition and tumor cell antiproliferation.Among the compounds synthesized,compound 30e exhibited excellent enzyme inhibitory activity(IC50 = 0.21 ± 0,05 μM for EGFR and IC50 = 1.08 ± 0.15 for HER-2).Compound 30e also showed the most potent antiproliferative activity,which inhibited the growth of MCF-7 and B16-F10 cell lines with IC50 values of 0.30 ± 0.04 and 0.44 ± 0.05 μM,respectively The molecular docking study was performed to analyze the probable binding models and the 3D-QSAR models were built for the rational design of EGFR/HER-2 inhibitors.Based on the results obtained,compound 30e with potent EGFR and HER-2 inhibitory activity may be a potential anticancer agent.
Wei-Ming Zhang Man Xing Ting-Ting Zhao Yu-Jia Ren Xian-Hui Yang Yu-Shun Yang Peng-Cheng Lv Hai-Liang Zhu
Nanjing Institute for the Comprehensive Utilization of Wild Plant,Nanjing 210042,People”s Republic of China;State Key Laboratory of Pharmaceutical Biotechnology,Nanjing University,Nanjing 210093,People”s Republic of China
国内会议
大连
英文
946-956
2016-09-24（万方平台首次上网日期，不代表论文的发表时间）