Molecular Recognition of Human Angiotensin-Coverting Enzyme I (hACE I) and Different Inhibitors
文献类型：期刊论文
| 作者 | Chu, Huiying1; Min, Hanyi2,3; Zhang, Mingbo4; Shen, Hujun1; Li, Guohui1 |
| 刊名 | current topics in medicinal chemistry
 |
| 出版日期 | 2013-05-01 |
| 卷号 | 13期号:10页码:1211-1221 |
| 关键词 | ACE different conformations binding mode interaction energy |
| 产权排序 | 待补充 |
| 通讯作者 | hanyi min ; 李国辉 |
| 合作状况 | 英 |
| 英文摘要 | the human angiontensin-converting enzyme i (hacei) is a zinc metalloproteinase that hydrolytically cleaves a c-terminal dipeptide from a wide range of peptide substrates, and it plays an important role in regulating blood pressure. md simulations and interaction energy calculations for docking and crystal structures were performed to investigate the correct conformation of the ace with enalaprilat and nanopepetide. the analysis of root-mean-squrared fluctuation (rmsf), which is usually applied to measure the mobility and flexibility of the proteins, and dynamic correlation of residues show that the fluctuation pattern of the each two structure of the same ligand is almost the same mode. hydrogen bond analysis shows that the correct crystal conformation is more stable than a wrong docking conformation. in addition, we are demonstrating that calculating interaction energy between protein and its ligands is an accurate and efficient way to select the correct conformation from docking conformations. |
| WOS标题词 | science & technology ; life sciences & biomedicine |
| 学科主题 | 物理化学 |
| 类目[WOS] | chemistry, medicinal |
| 研究领域[WOS] | pharmacology & pharmacy |
| 关键词[WOS] | influenza-a virus ; converting-enzyme ; biological functions ; drug-resistance ; collective motion ; m2 channel ; peptides ; ace ; mechanism ; domain |
| 收录类别 | SCI |
| 资助信息 | 1，1 |
| 原文出处 | 1221 |
| 语种 | 英语 |
| WOS记录号 | WOS:000319974500008 |
| 公开日期 | 2014-09-11 |
| 源URL | [http://159.226.238.44/handle/321008/119628]  |
| 专题 | 大连化学物理研究所_中国科学院大连化学物理研究所 |
| 作者单位 | 1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Lab Mol Modeling & Design, Dalian, Liaoning Provin, Peoples R China 2.Chinese Acad Med Sci, Peking Union Med Coll Hosp, Dept Ophthalmol, Beijing 100730, Peoples R China 3.Peking Union Med Coll, Beijing 100730, Peoples R China 4.Liaoning Univ Tradit Chinese Med, Coll Pharm, Dalian 116600, Liaoning Provin, Peoples R China |
| 推荐引用方式 GB/T 7714 | Chu, Huiying,Min, Hanyi,Zhang, Mingbo,et al. Molecular Recognition of Human Angiotensin-Coverting Enzyme I (hACE I) and Different Inhibitors[J]. current topics in medicinal chemistry,2013,13(10):1211-1221. |
| APA | Chu, Huiying,Min, Hanyi,Zhang, Mingbo,Shen, Hujun,&Li, Guohui.(2013).Molecular Recognition of Human Angiotensin-Coverting Enzyme I (hACE I) and Different Inhibitors.current topics in medicinal chemistry,13(10),1211-1221. |
| MLA | Chu, Huiying,et al."Molecular Recognition of Human Angiotensin-Coverting Enzyme I (hACE I) and Different Inhibitors".current topics in medicinal chemistry 13.10(2013):1211-1221. |
入库方式： OAI收割
来源：大连化学物理研究所
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