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Three flavonoids targeting the beta-hydroxyacyl-acyl carrier protein dehydratase from Helicobacter pylori: Crystal structure characterization with enzymatic inhibition assay

文献类型：期刊论文

作者Zhang, Liang2; Kong, Yunhua2; Wu, Dalei2; Zhang, Haitao2; Wu, Jian1; Chen, Jing2; Ding, Jianping1; Hu, Lihong2; Jiang, Hualiang2; Shen, Xu2
刊名PROTEIN SCIENCE
出版日期2008-11
卷号17期号:11页码:1971-1978
关键词HpFabZ quercetin apigenin (S)-sakuranetin complex structure inhibitory mechanism
ISSN号0961-8368
DOI10.1110/ps.036186.108
文献子类Article
英文摘要Flavonoids are the major functional components of many herbal and insect preparations and demonstrate varied pharmacological functions including antibacterial activity. Here by enzymatic assay and crystal structure analysis, we studied the inhibition of three flavonoids (quercetin, apigenin, and (S)-sakuranetin) against the beta-hydroxyacyl-acyl carrier protein dehydratase from Helicobacter pylori (HpFabZ). These three flavonoids are all competitive inhibitors against HpFabZ by either binding to the entrance of substrate tunnel B (binding model A) or plugging into the tunnel C near the catalytic residues (binding model B) mainly by hydrophobic interaction and hydrogen-bond pattern. Surrounded by hydrophobic residues of HpFabZ at both positions of models A and B, the methoxy group at C-7 of (S)-sakuranetin seems to play an important role for the inhibitor's binding to HpFabZ, partly responsible for the higher inhibitory activity of (S)-sakuranetin than those of quercetin and apigenin against HpFabZ (IC50 in mu M: (S)-sakuranetin, 2.0 +/- 0.1; quercetin: 39.3 +/- 2.7; apigenin, 11.0 +/- 2.5). Our work is expected to supply useful information for understanding the potential antibacterial mechanism of flavonoids.
WOS关键词FABZ
资助项目State Key Program of Basic Research of China[2004CB518905] ; State Key Program of Basic Research of China[2006AA09Z447] ; State Key Program of Basic Research of China[2007CB914304] ; National Natural Science Foundation of China[30525024] ; National Natural Science Foundation of China[90713046] ; National Natural Science Foundation of China[20721003] ; Shanghai Science and Technology Commission[06JC14080] ; Shanghai Science and Technology Commission[03DZ19228] ; CAS Foundation[KSCX1-YW-R-18]
WOS研究方向Biochemistry & Molecular Biology
语种英语
WOS记录号WOS:000260423400010
出版者COLD SPRING HARBOR LAB PRESS, PUBLICATIONS DEPT
源URL[http://119.78.100.183/handle/2S10ELR8/272773]  
专题上海中药现代化研究中心
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
药理学第三研究室
通讯作者Hu, Lihong
作者单位1.Chinese Acad Sci, State Key Lab Mol Biol, Inst Biochem & Cell Biol, Shanghai Inst Biol Sci, Shanghai 200031, Peoples R China
2.Chinese Acad Sci, Drug Discovery & Design Ctr, State Key Lab Drug Res, Shanghai Inst Mat Med, Shanghai 201203, Peoples R China;
推荐引用方式
GB/T 7714		 Zhang, Liang,Kong, Yunhua,Wu, Dalei,et al. Three flavonoids targeting the beta-hydroxyacyl-acyl carrier protein dehydratase from Helicobacter pylori: Crystal structure characterization with enzymatic inhibition assay[J]. PROTEIN SCIENCE,2008,17(11):1971-1978.
APA Zhang, Liang.,Kong, Yunhua.,Wu, Dalei.,Zhang, Haitao.,Wu, Jian.,...&Shen, Xu.(2008).Three flavonoids targeting the beta-hydroxyacyl-acyl carrier protein dehydratase from Helicobacter pylori: Crystal structure characterization with enzymatic inhibition assay.PROTEIN SCIENCE,17(11),1971-1978.
MLA Zhang, Liang,et al."Three flavonoids targeting the beta-hydroxyacyl-acyl carrier protein dehydratase from Helicobacter pylori: Crystal structure characterization with enzymatic inhibition assay".PROTEIN SCIENCE 17.11(2008):1971-1978.

入库方式： OAI收割

来源：上海药物研究所

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