A new class of salicylic acid derivatives for inhibiting YopH of Yersinia pestis.
A new class of salicylic acid derivatives for inhibiting YopH of Yersinia pestis.
复制标题
一类新的水杨酸衍生物，用于抑制鼠疫耶尔森氏菌的 YopH。
DOI：
10.1016/j.bmc.2014.10.042
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发表时间：
2014
影响因子：
3.5
通讯作者：
Wong,ChungF
中科院分区：
文献类型：
--
作者：
Paudyal,MaheshP;Wu,Li;Zhang,Zhong-Yin;Spilling,ChristopherD;Wong,ChungF
Previously, we identified a class of salicylic acid derivatives that display inhibitory activity against the protein tyrosine phosphatase YopH from Yersinia pestis. Because docking study suggested that the large phenyl ring attaching to the salicylic acid core might be exposed to the solvent and might not contribute significantly to binding, we have developed a new class of compounds that no longer contain this phenyl ring. We first devised a synthetic scheme for the compounds and then developed an automated computational screening model surrounding this synthetic scheme to help select a small number of compounds for synthesis and experimental testing. Based on this computational screening model and the analysis of the structure–activity relationship of our previous class of compounds, we have synthesized eight compounds and found five that yield micromolar activity. When applying in a larger scale, the synthetic scheme and the computational screening model developed here should help to identify even more potent inhibitors in the future.
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影响因子：
56.9
作者：
GUAN, KL;DIXON, JE
通讯作者：
DIXON, JE
影响因子：
--
作者：
Thomas W. McGovern;George W. Christopher;E. Eitzen
通讯作者：
E. Eitzen
影响因子：
5.2
作者：
Huynh, Tri H. V.;Mantel, Mette Louise H.;Skrydstrup, Troels
通讯作者：
Skrydstrup, Troels
影响因子：
3.6
作者：
BOLIN, I;WOLFWATZ, H
通讯作者：
WOLFWATZ, H
含氨基甲酸酯基的手性 5-芳基苯甲酰胺的不对称 Birch 还原-烷基化研究
影响因子：
1.8
作者：
A. Casimiro;A. Schultz
通讯作者：
A. Schultz