Design, Synthesis, Biological Activity and Molecular Docking Study of Coumarin Derivatives Bearing 2-Methylbiphenyl Moiety

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	Design, Synthesis, Biological Activity and Molecular Docking Study of Coumarin Derivatives Bearing 2-Methylbiphenyl Moiety
其他题名	Design, Synthesis, Biological Activity and Molecular Docking Study of Coumarin Derivatives Bearing 2-Methylbiphenyl Moiety
	Ma Junjie 1; Huang Kun 1; Ni Xin 1; Chen Roufen 1; Xu Boxuan 2; Wang Cuifang 3
	2019
发表期刊	CHEMICAL RESEARCH IN CHINESE UNIVERSITIES
ISSN	1005-9040
卷号	35 期号:3 页码:410-417
摘要	A hybrid pharmacophore approach was used to design and synthesize a series of coumarin derivatives bearing 2-methylbiphenyl moiety, which were evaluated for their in vitro anticancer activities against four cancer cell lines(MCF-7, A549, H460 and HT29) and PD-1/PD-L1 inhibitory activities. Moreover, several compounds with excellent anticancer activities were selected to evaluate the cytotoxicities against one normal cell line(HEK-293). The most promising compound 11o showed the best anticancer activities against the four tested cancer cell lines with the IC50 values of 6.45, 8.65, 6,57 and 8.13 mu mol/L, respectively, and displayed weak cytotoxicity on the normal cell(HEK-293). Furthermore, screening of PD-1/PD-L1 inhibitory activity revealed that compound 11o could effectively inhibit the binding of PD-1/PD-L1, and the binding interactions of compound 11o with PD-L1 protein were explored by molecular docking. All above evidences showed that compound 11o might be worthy of further study as a valuable leading compound for the treatment of cancer.
其他摘要	A hybrid pharmacophore approach was used to design and synthesize a series of coumarin derivatives bearing 2-methylbiphenyl moiety, which were evaluated for their in vitro anticancer activities against four cancer cell lines(MCF-7, A549, H460 and HT29) and PD-1/PD-L1 inhibitory activities. Moreover, several compounds with excellent anticancer activities were selected to evaluate the cytotoxicities against one normal cell line(HEK-293). The most promising compound 11o showed the best anticancer activities against the four tested cancer cell lines with the IC_(50) values of 6.45, 8.65, 6,57 and 8.13 μmol/L, respectively, and displayed weak cytotoxicity on the normal cell(HEK-293). Furthermore, screening of PD-1/PD-L1inhibitory activity revealed that compound 11o could effectively inhibit the binding of PD-1/PD-L1, and the binding interactions of compound 11o with PD-L1 protein were explored by molecular docking. All above evidences showed that compound 11o might be worthy of further study as a valuable leading compound for the treatment of cancer.
关键词	GROWTH POTENT Coumarin 2-Methylbiphenyl Anticancer activity PD-1/PD-L1 inhibitory activity Molecular docking
收录类别	CSCD
语种	英语
资助项目	[National Natural Science Foundation of China] ; [Promotion Program for Young and Middle-aged Teacher in Science and Technology Research of Huaqiao University, China] ; [Science and Technology Project of Quanzhou City, China] ; [Subsidized Project for Postgraduates' Innovative Fund in Scientific Research of Huaqiao University, China]
CSCD记录号	CSCD:6505899
引用统计
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/89645
专题	中国科学院金属研究所
作者单位	1.华侨大学 2.中国科学院金属研究所 3.泉州师范学院
推荐引用方式 GB/T 7714	Ma Junjie,Huang Kun,Ni Xin,et al. Design, Synthesis, Biological Activity and Molecular Docking Study of Coumarin Derivatives Bearing 2-Methylbiphenyl Moiety[J]. CHEMICAL RESEARCH IN CHINESE UNIVERSITIES,2019,35(3):410-417.
APA	Ma Junjie,Huang Kun,Ni Xin,Chen Roufen,Xu Boxuan,&Wang Cuifang.(2019).Design, Synthesis, Biological Activity and Molecular Docking Study of Coumarin Derivatives Bearing 2-Methylbiphenyl Moiety.CHEMICAL RESEARCH IN CHINESE UNIVERSITIES,35(3),410-417.
MLA	Ma Junjie,et al."Design, Synthesis, Biological Activity and Molecular Docking Study of Coumarin Derivatives Bearing 2-Methylbiphenyl Moiety".CHEMICAL RESEARCH IN CHINESE UNIVERSITIES 35.3(2019):410-417.