SIOC OpenIR  > 计算机化学与化学信息学研究室
Discovery, synthesis and biological evaluation of 2-(4-(N-phenethylsulfamoyl)phenoxy)acetamides (SAPAs) as novel sphingomyelin synthase 1 inhibitors
其他题名新型的鞘磷脂合酶抑制剂2-(4-(N-苯乙基氨磺酰基)苯氧基)乙酰胺 (SAPAs)的发现, 合成和生物学评价
Li YL(李亚莉)1; Qi XY(齐翔宇)1; Jiang H(蒋慧)1; Deng XD(邓小东)1; Dong YP(董艳萍)1; Ding YB(丁延波)1; Zhou L(周璐)1; Men P(门鹏)1; Chu Y(楚勇)1; Wang RX(王任小)1; Jiang XC(蒋宪成)1; Ye DY(叶德泳)1
2015
发表期刊Bioorg. Med. Chem.
卷号23期号:18页码:6173-6184
摘要Sphingomyelin synthase (SMS) has been proved to be a potential drug target for the treatment of atherosclerosis. However, few SMS inhibitors have been reported. In this paper, structure-based virtual screening was performed on hSMS1. SAPA 1a was discovered as a novel SMS1 inhibitor with an IC50 value of 5.2 mu M in enzymatic assay. A series of 2-(4-(N-phenethylsulfamoyl)phenoxy)acetamides (SAPAs) were synthesized and their biological activities toward SMS1 were evaluated. Among them, SAPA 1j was found to be the most potent SMS1 inhibitor with an IC50 value of 2.1 mu M in in vitro assay. The molecular docking studies suggested the interaction modes of SMS1 inhibitors and PC with the active site of SMS1. Site-directed mutagenesis validated the involvement of residues Arg342 and Tyr338 in enzymatic sphingomyelin production. The discovery of SAPA derivatives as a novel class of SMS1 inhibitors would advance the development of more effective SMS1 inhibitors. (c) 2015 Elsevier Ltd. All rights reserved.
文章类型论文
学科领域计算机化学
DOI10.1016/j.bmc.2015.07.060
URL查看原文
收录类别SCI
语种英语
WOS记录号WOS:000360910000010
引用统计
被引频次:6[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.sioc.ac.cn/handle/331003/39824
专题计算机化学与化学信息学研究室
通讯作者Wang RX(王任小); Ye DY(叶德泳)
作者单位1.复旦大学
2.中科院上海有机化学研究所, 生命有机化学国家重点实验室
推荐引用方式
GB/T 7714
Li YL,Qi XY,Jiang H,et al. Discovery, synthesis and biological evaluation of 2-(4-(N-phenethylsulfamoyl)phenoxy)acetamides (SAPAs) as novel sphingomyelin synthase 1 inhibitors[J]. Bioorg. Med. Chem.,2015,23(18):6173-6184.
APA 李亚莉.,齐翔宇.,蒋慧.,邓小东.,董艳萍.,...&叶德泳.(2015).Discovery, synthesis and biological evaluation of 2-(4-(N-phenethylsulfamoyl)phenoxy)acetamides (SAPAs) as novel sphingomyelin synthase 1 inhibitors.Bioorg. Med. Chem.,23(18),6173-6184.
MLA 李亚莉,et al."Discovery, synthesis and biological evaluation of 2-(4-(N-phenethylsulfamoyl)phenoxy)acetamides (SAPAs) as novel sphingomyelin synthase 1 inhibitors".Bioorg. Med. Chem. 23.18(2015):6173-6184.
条目包含的文件
文件名称/大小 文献类型 版本类型 开放类型 使用许可
2015469.pdf(1461KB)期刊论文作者接受稿开放获取CC BY-NC-SA请求全文
个性服务
推荐该条目
保存到收藏夹
查看访问统计
导出为Endnote文件
谷歌学术
谷歌学术中相似的文章
[李亚莉]的文章
[齐翔宇]的文章
[蒋慧]的文章
百度学术
百度学术中相似的文章
[李亚莉]的文章
[齐翔宇]的文章
[蒋慧]的文章
必应学术
必应学术中相似的文章
[李亚莉]的文章
[齐翔宇]的文章
[蒋慧]的文章
相关权益政策
暂无数据
收藏/分享
所有评论 (0)
暂无评论
 

除非特别说明,本系统中所有内容都受版权保护,并保留所有权利。