Salvianolic acids from antithrombotic Traditional Chinese Medicine Danshen are antagonists of human P2Y(1 )and P2Y(12) receptors

doi:10.1038/s41598-018-26577-0

KMS > iHuman研究所

	Salvianolic acids from antithrombotic Traditional Chinese Medicine Danshen are antagonists of human P2Y(1 )and P2Y(12) receptors
	Liu, Xuyang1,2,3,4 ; Gao, Zhan-Guo 5; Wu, Yiran1 ; Stevens, Raymond C.1 ; Jacobson, Kenneth A.5; Zhao, Suwen1,2
	2018-05-24
发表期刊	SCIENTIFIC REPORTS
ISSN	2045-2322
卷号	8
发表状态	已发表
DOI	10.1038/s41598-018-26577-0
摘要	Many hemorheologic Traditional Chinese Medicines (TCMs) that are widely-used clinically lack molecular mechanisms of action. We hypothesized that some of the active components of hemorheologic TCMs may function through targeting prothrombotic P2Y(1) and/or P2Y(12) receptors. The interactions between 253 antithrombotic compounds from TCM and these two G protein-coupled P2Y receptors were evaluated using virtual screening. Eleven highly ranked hits were further tested in radioligand binding and functional assays. Among these compounds, salvianolic acid A and C antagonized the activity of both P2Y(1 )and P2Y(12) receptors in the low mu M range, while salvianolic acid B antagonized the P2Y(12) receptor. These three salvianolic acids are the major active components of the broadly-used hemorheologic TCM Danshen (Salvia militorrhiza), the antithrombotic molecular mechanisms of which were largely unknown. Thus, the combination of virtual screening and experimental validation identified potential mechanisms of action of multicomponent drugs that are already employed clinically.
收录类别	SCI ; SCIE
语种	英语
资助项目	NIH Intramural Research Program (NIDDK)[ZIA DK031116]
WOS研究方向	Science & Technology - Other Topics
WOS类目	Multidisciplinary Sciences
WOS记录号	WOS:000432928200009
出版者	NATURE PUBLISHING GROUP
WOS关键词	PROTEIN-COUPLED RECEPTORS ; ACUTE CORONARY SYNDROMES ; ADENOSINE-DIPHOSPHATE RECEPTORS ; TARGET INTERACTION PREDICTION ; PLATELET-AGGREGATION ; ACCURATE DOCKING ; AQUEOUS EXTRACT ; DEPSIDE SALT ; FORCE-FIELD ; DRUG
原始文献类型	Article
引用统计
文献类型	期刊论文
条目标识符	https://kms.shanghaitech.edu.cn/handle/2MSLDSTB/20869
专题	iHuman研究所生命科学与技术学院 iHuman研究所_特聘教授组_Raymond Stevens组 iHuman研究所_PI研究组_赵素文组生命科学与技术学院_博士生
通讯作者	Zhao, Suwen
作者单位	1.ShanghaiTech Univ, iHuman Inst, Shanghai 201210, Peoples R China 2.ShanghaiTech Univ, Sch Life Sci & Technol, Shanghai 201210, Peoples R China 3.Chinese Acad Sci, Shanghai Inst Biol Sci, CAS MPG Partner Inst Computat Biol, Key Lab Computat Biol, Shanghai 20031, Peoples R China 4.Univ Chinese Acad Sci, 19A Yuquan Rd, Beijing 100049, Peoples R China 5.NIDDK, Mol Recognit Sect, Lab Bioorgan Chem, NIH, Bethesda, MD 20892 USA
第一作者单位	iHuman研究所; 生命科学与技术学院
通讯作者单位	iHuman研究所; 生命科学与技术学院
第一作者的第一单位	iHuman研究所
推荐引用方式 GB/T 7714	Liu, Xuyang,Gao, Zhan-Guo,Wu, Yiran,et al. Salvianolic acids from antithrombotic Traditional Chinese Medicine Danshen are antagonists of human P2Y(1 )and P2Y(12) receptors[J]. SCIENTIFIC REPORTS,2018,8.
APA	Liu, Xuyang,Gao, Zhan-Guo,Wu, Yiran,Stevens, Raymond C.,Jacobson, Kenneth A.,&Zhao, Suwen.(2018).Salvianolic acids from antithrombotic Traditional Chinese Medicine Danshen are antagonists of human P2Y(1 )and P2Y(12) receptors.SCIENTIFIC REPORTS,8.
MLA	Liu, Xuyang,et al."Salvianolic acids from antithrombotic Traditional Chinese Medicine Danshen are antagonists of human P2Y(1 )and P2Y(12) receptors".SCIENTIFIC REPORTS 8(2018).