Docking study, synthesis and SAH-hydrolase inhibitory activity of L-adeninylalanine and related analogues

被引：2
作者：
Floquet, N
Leroy, S
Muzard, M
Guillerm, G
Behr, JB
机构：
[1] UFR Sci, CNRS, UMR 6519, Lab React Select & Applicat, F-51687 Reims 2, France
[2] CNRS, ICSN, UPR 2301, F-91198 Gif Sur Yvette, France
来源：
LETTERS IN DRUG DESIGN & DISCOVERY | 2005年 / 2卷 / 08期
关键词：
docking study; SAH-hydrolase; inhibitors; antiviral agents; nucleoside analogues;
D O I：
10.2174/157018005774717262
中图分类号：
R914 [药物化学];
学科分类号：
100701 ;
摘要：
docking simulations were performed on the open and the closed conformations of (S)-adenosyl-L-homocysteine-hydrolase with a series of L-adeninylalanine analogues. Theoretical Ki values were calculated and compared to experimental Ki's, determined after enzymatic assay. These results suggest that the competitive inhibitors evaluated bind reversibly to the open form of SAH-hydrolase and do not induce the conformational transition to the closed conformation.
引用
收藏
页码：579 / 583
页数：5
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