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

doi:10.1007/s40242-018-8149-3

高等学校化学研究 ›› 2018, Vol. 34 ›› Issue (6): 912-917.doi: 10.1007/s40242-018-8149-3

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

JIN Bo^1,2, TAO Ye³, YANG Hongliang^1,2

1. Department of Veterinary Medicine, Northeast Agricultural University, Harbin 150030, P. R. China;
2. Heilongjiang Key Laboratory for Animal Disease Control and Pharmaceutical Development, Harbin 150030, P. R. China;
3. School of Pharmaceutical Sciences, Jilin University, Changchun 130021, P. R. China

收稿日期:2018-05-08 出版日期:2018-12-01 发布日期:2018-09-29
通讯作者: YANG Hongliang E-mail:hongl_yang@126.com
基金资助:
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).

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

JIN Bo^1,2, TAO Ye³, YANG Hongliang^1,2

1. Department of Veterinary Medicine, Northeast Agricultural University, Harbin 150030, P. R. China;
2. Heilongjiang Key Laboratory for Animal Disease Control and Pharmaceutical Development, Harbin 150030, P. R. China;
3. School of Pharmaceutical Sciences, Jilin University, Changchun 130021, P. R. China

Received:2018-05-08 Online:2018-12-01 Published:2018-09-29
Contact: YANG Hongliang E-mail:hongl_yang@126.com
Supported by:
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).

摘要/Abstract

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 phenylpyrimidine 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 compounds 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 out 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.

关键词: Phenylpyrimidine, Anticancer activity, Molecular docking

Abstract: 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 phenylpyrimidine 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 compounds 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 out 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.

Key words: Phenylpyrimidine, Anticancer activity, Molecular docking

JIN Bo, TAO Ye, YANG Hongliang. Synthesis, Biological Evaluation and Molecular Docking of Novel Phenylpyrimidine Derivatives as Potential Anticancer Agents[J]. 高等学校化学研究, 2018, 34(6): 912-917.

JIN Bo, TAO Ye, YANG Hongliang. Synthesis, Biological Evaluation and Molecular Docking of Novel Phenylpyrimidine Derivatives as Potential Anticancer Agents[J]. Chemical Research in Chinese Universities, 2018, 34(6): 912-917.

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

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

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