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Design, syntheses, structure-activity relationships and docking studies of coumarin derivatives as novel selective ligands for the CB2 receptor

文献类型：期刊论文

作者Han, Shuang2; Zhang, Fei-Fei1; Qian, Hai-Yan2; Chen, Li-Li2; Pu, Jian-Bin2; Xie, Xin1; Chen, Jian-Zhong2
刊名EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
出版日期2015-03-26
卷号93页码:16-32
关键词GPCR Cannabinoid CB2 receptor Structure-activity relationship Coumarin
ISSN号0223-5234
DOI10.1016/j.ejmech.2015.01.054
文献子类Article
英文摘要The CB2 receptor has been considered as an inspiring drug target for the treatment of pain and immune-related diseases. In the current manuscript, a novel series of coumarin derivatives is reported to be designed and synthesized by combining the structural features of some known ligands for the cannabinoid receptors based on the CoMFA model of the lead compounds. The compounds were evaluated to be highly selective ligands for the CB2 receptor over the CBI receptor by calcium mobilization assays. Furthermore, SAR results indicate that the functionality of a ligand is controlled by the substituent on the nucleus. Therefore, molecular docking simulations were performed to calculate the receptor-ligand interactions of our synthesized compounds binding to the CB2 receptor. The understanding of the binding modes could be advantageous for further development of selective ligands for the CB2 receptor. (C) 2015 Elsevier Masson SAS. All rights reserved.
WOS关键词CANNABINOID RECEPTOR ; INVERSE AGONISTS ; 2-OXOQUINOLINE DERIVATIVES ; ENDOCANNABINOID SYSTEM ; ANTIPRURITIC AGENT ; IN-VITRO ; ANTAGONISTS ; DISCOVERY ; PAIN ; POTENT
资助项目National Natural Science Foundation of China[NSFC 30973637] ; Qianjiang talents project of Technology Office in Zhejiang Province[2010R10048]
WOS研究方向Pharmacology & Pharmacy
语种英语
WOS记录号WOS:000351646100003
出版者ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER
源URL[http://119.78.100.183/handle/2S10ELR8/276598]  
专题国家新药筛选中心
通讯作者Xie, Xin
作者单位1.Chinese Acad Sci, Shanghai Inst Mat Med, Natl Ctr Drug Screening, Key Lab Receptor Res, Shanghai 201203, Peoples R China
2.Zhejiang Univ, Coll Pharmaceut Sci, Hangzhou 310058, Zhejiang, Peoples R China;
推荐引用方式
GB/T 7714		 Han, Shuang,Zhang, Fei-Fei,Qian, Hai-Yan,et al. Design, syntheses, structure-activity relationships and docking studies of coumarin derivatives as novel selective ligands for the CB2 receptor[J]. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY,2015,93:16-32.
APA Han, Shuang.,Zhang, Fei-Fei.,Qian, Hai-Yan.,Chen, Li-Li.,Pu, Jian-Bin.,...&Chen, Jian-Zhong.(2015).Design, syntheses, structure-activity relationships and docking studies of coumarin derivatives as novel selective ligands for the CB2 receptor.EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY,93,16-32.
MLA Han, Shuang,et al."Design, syntheses, structure-activity relationships and docking studies of coumarin derivatives as novel selective ligands for the CB2 receptor".EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY 93(2015):16-32.

入库方式： OAI收割

来源：上海药物研究所

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