Synthesis, Biological Evaluation and Molecular Docking of Novel Phenylpyrimidine Derivatives as Potential Anticancer Agents

作     者：J1N Bo TAO Ye YANG Hongliang 无

作者机构：Department of Veterinary Medicine North eastAgricultural University Harbin 150030 P. R. China Heilongfiang Key Laboratory for Animal Disease Control and Pharmaceutical Development Harbin 150030 P. R. China School of Pharmaceutical Sciences Jilin University Changchun 130021 P. R. China 

出 版 物：《Chemical Research in Chinese Universities》 (高等学校化学研究（英文版）)

年 卷 期：2018年第34卷第6期

页      面：912-917页

核心收录：

学科分类：090502[农学-动物营养与饲料科学] 07[理学] 0905[农学-畜牧学] 09[农学] 070203[理学-原子与分子物理] 0703[理学-化学] 0702[理学-物理学] 

基　　金：Supported by the Youth Natural Science Foundation of Heilongjiang Province  China(No.QC2016025)  the University Nursing Programs for Young Scholars with Creative Talents in Heilongjiang Province  China(No.UNPYSCT-2017003) and the "Young Talents" Project of Northeast Agricultural University  China (No. 17QC13) 

主　　题：Phenylpyrimidine Anticancer activity Molecular docking 

摘      要：Based on our previous researches, a novel phenylpyrimidine pharmacophore model was proposed and fifteen derivatives were synthesized and characterized by means of spectroscopy methods. The inhibitory effects of them were screened against HeLa cell line by virtue of MTT assay in vitro. The results indicate some of the phenyl- pyrimidine derivatives exhibit potent biological activities. Among them, compounds 6g and 6h exhibit the best activity at half maximal inhibitory concentrations of 1.5 and 2.8 μmol/L, respectively. These compotmds also exhibit good activities against HepG2 cell line and MCF-7 cell line. FLT-3 kinase was screened as the most potent molecular target. Computational docking between compound 6g and FLT-3 was carried ont to interpret the binding mode. The results show phenylpyrimidine derivatives have effective antitumor activities, which provides a base for further research of them as antitumor agents.