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Design, Synthesis, Biological Activity and Molecular Docking Study of Coumarin Derivatives Bearing 2-Methylbiphenyl Moiety
Alternative TitleDesign, Synthesis, Biological Activity and Molecular Docking Study of Coumarin Derivatives Bearing 2-Methylbiphenyl Moiety
Ma Junjie1; Huang Kun1; Ni Xin1; Chen Roufen1; Xu Boxuan2; Wang Cuifang3
2019
Source PublicationCHEMICAL RESEARCH IN CHINESE UNIVERSITIES
ISSN1005-9040
Volume35Issue:3Pages:410-417
AbstractA 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.
Other AbstractA 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.
KeywordGROWTH POTENT Coumarin 2-Methylbiphenyl Anticancer activity PD-1/PD-L1 inhibitory activity Molecular docking
Indexed ByCSCD
Language英语
Funding Project[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 IDCSCD:6505899
Citation statistics
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/89645
Collection中国科学院金属研究所
Affiliation1.华侨大学
2.中国科学院金属研究所
3.泉州师范学院
Recommended Citation
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.
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