Synthesis and SAR studies on hyperin and its analogues as 3CL protease inhibitors of human coronavirus 229E

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	Synthesis and SAR studies on hyperin and its analogues as 3CL protease inhibitors of human coronavirus 229E
	JIA Qi 1; LI Jian 2; CHEN Lili2 ; LIU Xiaofeng 2; TAN Hongsheng 1; ZHU Weiliang2
刊名	Chinese Journal of Medicinal Chemistry
	2007
卷号	17 期号:5 页码:288-294
关键词	hyperin human coronavirus 229E 3CL protease inhibitor SAR surface plasmon resonance
ISSN号	1005-0108
其他题名	感冒229E病毒3CL蛋白酶抑制剂金丝桃苷衍生物的合成及其构效关系研究
文献子类	Article
英文摘要	Aim To discover new chemical structures as 3CL protease inhibitors of human coronavirus 229E(HCoV-229E).Methods A natural product,hyperin,was discovered as a potential inhibitor of the HCoV-229E 3CL protease by molecular docking.Five new analogues were then designed based on the receptor-ligand interaction mechanism,and successfully synthesized,followed by a bioassay study with surface plasmon resonance technique.Results and conclusion Three new analogues were found to be more active than hyperin.The binding conformations of the newly designed compounds to HCoV-229E 3CL protease are different from that to SARS 3CL protease.Thus,highly specific inhibitors of HCoV-229E 3CL protease could be designed based on the difference.It would be an efficient approach to discover and design highly active and specific inhibitors of 3CL protease of human coronavirus 229E as potential drug leads against human cold coronavirus 229E by integrating virtual screening,molecular modeling and design,organic synthesis with bioassay.
资助项目	上海市基础研究重点项目(05JC14092)[00000000]
WOS研究方向	Pharmacology & Pharmacy (provided by Clarivate Analytics)
语种	中文
CSCD记录号	CSCD:2942486
内容类型	期刊论文
源URL	[http://119.78.100.183/handle/2S10ELR8/268126]
专题	药物发现与设计中心
通讯作者	ZHU Weiliang
作者单位	1.Shanghai University of Traditional Chinese Medicine, Shanghai 201203, China.; 2.Shanghai Institute of Materia Medica, Shanghai 201203, China.
推荐引用方式 GB/T 7714	JIA Qi,LI Jian,CHEN Lili,et al. Synthesis and SAR studies on hyperin and its analogues as 3CL protease inhibitors of human coronavirus 229E[J]. Chinese Journal of Medicinal Chemistry,2007,17(5):288-294.
APA	JIA Qi,LI Jian,CHEN Lili,LIU Xiaofeng,TAN Hongsheng,&ZHU Weiliang.(2007).Synthesis and SAR studies on hyperin and its analogues as 3CL protease inhibitors of human coronavirus 229E.Chinese Journal of Medicinal Chemistry,17(5),288-294.
MLA	JIA Qi,et al."Synthesis and SAR studies on hyperin and its analogues as 3CL protease inhibitors of human coronavirus 229E".Chinese Journal of Medicinal Chemistry 17.5(2007):288-294.