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Identification of small molecule sphingomyelin synthase inhibitors
其他题名Identification of small molecule sphingomyelin synthase inhibitors
DENG XIAODONG1; LIN FU1; ZHANG YA1; LI YAN1; ZHOU LU1; LOU BIN1; LI YUE1; DONG JIBIN1; DING TINGBO1; JIANG XIANCHENG1; Wang RX(王任小)1; YE DEYONG1
2014
发表期刊Eur. J. Med. Chem.
卷号73页码:1-7
摘要Sphingomyelin synthase (SMS), which catalyzes ceramide as one of the substrates to produce sphingomyelin, is a critical factor in the sphingolipid biosynthesis pathway. Recent studies indicated that SMS could serve as a novel potential drug target for the treatment of various metabolic diseases such as insulin resistance and atherosclerosis. However, very few small-molecule inhibitors of SMS are known. In this study, we performed structure-based virtual screening in combination with chemical synthesis and bioassay and discovered a class of small-molecule SMS inhibitors. The most potent compound exhibited an IC50 value lower than 20 mu M in an in vitro enzymatic assay. To the best of our knowledge, this is the first time that small-molecule SMS inhibitors with potency close to the micromolar range are publicly revealed. The structure-activity relationship demonstrated by this class of compounds provides insights into the structural features that are essential for effective SMS inhibition. (C) 2013 Elsevier Masson SAS. All rights reserved.
学科领域计算机化学
DOI10.1016/j.ejmech.2013.12.002
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收录类别SCI
语种英语
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被引频次:10[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/331003/38926
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 DEYONG
作者单位1.复旦大学
2.中科院上海有机化学研究所
推荐引用方式
GB/T 7714
DENG XIAODONG,LIN FU,ZHANG YA,et al. Identification of small molecule sphingomyelin synthase inhibitors[J]. Eur. J. Med. Chem.,2014,73:1-7.
APA DENG XIAODONG.,LIN FU.,ZHANG YA.,LI YAN.,ZHOU LU.,...&YE DEYONG.(2014).Identification of small molecule sphingomyelin synthase inhibitors.Eur. J. Med. Chem.,73,1-7.
MLA DENG XIAODONG,et al."Identification of small molecule sphingomyelin synthase inhibitors".Eur. J. Med. Chem. 73(2014):1-7.
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