中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
Design, synthesis, and biological evaluation of novel piperidine-4-carboxamide derivatives as potent CCR5 inhibitors

文献类型:期刊论文

作者Hu, Suwen1; Gu, Quan1; Wang, Zhilong2; Weng, Zhiyong1; Cai, Yunrui1; Dong, Xiaowu1; Hu, Yongzhou1; Liu, Tao1; Xie, Xin2
刊名EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
出版日期2014-01
卷号71页码:259-266
关键词CCR5 inhibitor Anti-HIV-1 agent Piperidine-4-carboxamide derivatives
ISSN号0223-5234
DOI10.1016/j.ejmech.2013.11.013
文献子类Article
英文摘要Based on a putative 'Y shape' pharmacophore model of CCR5 inhibitors, a series of novel piperidine-4-carboxamide derivatives were designed and synthesized using a group-reverse strategy. Among synthesized target compounds, 16g (IC50 = 25.73 nM) and 16i (IC50 = 25.53 nM) showed equivalent inhibitory activity against CCR5 to that of the positive control maraviroc (IC50 = 25.43 nM) in calcium mobilization assay. Selected compounds were further tested for their antiviral activity in HIV-1 single cycle assay. Two compounds, 16g and 16i, displayed antiviral activity with IC50 values of 73.01 nM and 94.10 nM, respectively. Additionally, the pharmacokinetic properties and inhibitory potency against hERG of 16g were evaluated, providing a foundation for ongoing optimization. (C) 2013 Elsevier Masson SAS. All rights reserved.
WOS关键词SMALL-MOLECULE CCR5 ; ANTAGONIST TAK-220 ; HIV ; INFECTION ; RECEPTOR ; ENTRY
资助项目National Natural Science Foundation of China[81072515] ; National Natural Science Foundation of China[81202341] ; Ministry of Science and Technology of China[2012ZX09301001-005] ; Ministry of Health-medical Science Critical Technological Program of Zhejiang Province[WKJ20122024] ; Shanghai Commission of Science and Technology[12XD1402100]
WOS研究方向Pharmacology & Pharmacy
语种英语
WOS记录号WOS:000331496100025
出版者ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER
源URL[http://119.78.100.183/handle/2S10ELR8/277305]  
专题国家新药筛选中心
中科院受体结构与功能重点实验室
新药研究国家重点实验室
通讯作者Liu, Tao
作者单位1.Zhejiang Univ, Coll Pharmaceut Sci, ZJU ENS Joint Lab Med Chem, Hangzhou 310058, Zhejiang, Peoples R China;
2.Chinese Acad Sci, Shanghai Inst Mat Med, Natl Ctr Drug Screening, State Key Lab Drug Res, Shanghai 201203, Peoples R China
推荐引用方式
GB/T 7714
Hu, Suwen,Gu, Quan,Wang, Zhilong,et al. Design, synthesis, and biological evaluation of novel piperidine-4-carboxamide derivatives as potent CCR5 inhibitors[J]. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY,2014,71:259-266.
APA Hu, Suwen.,Gu, Quan.,Wang, Zhilong.,Weng, Zhiyong.,Cai, Yunrui.,...&Xie, Xin.(2014).Design, synthesis, and biological evaluation of novel piperidine-4-carboxamide derivatives as potent CCR5 inhibitors.EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY,71,259-266.
MLA Hu, Suwen,et al."Design, synthesis, and biological evaluation of novel piperidine-4-carboxamide derivatives as potent CCR5 inhibitors".EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY 71(2014):259-266.

入库方式: OAI收割

来源:上海药物研究所

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