Activation of beta(2)-Adrenergic Receptor Induced by Three Catecholamine Agonists: a Docking and Molecular Dynamics Study
文献类型：期刊论文
| 作者 | Zhang Rui1,2; Dong Li-hua1; Ling Bao-ping3; Wang Zhi-guo1; Liu Yong-jun1 |
| 刊名 | chemical research in chinese universities
 |
| 出版日期 | 2012-05-01 |
| 卷号 | 28期号:3页码:493-499 |
| 关键词 | beta(2)-Adrenergic receptor(beta(2)AR) G Protein coupled receptor(GPCR) Molecular dynamics Agonist Activation |
| ISSN号 | 1005-9040 |
| 中文摘要 | we studied the activation of beta(2)-adrenergic receptor(beta(2)ar) by norepinephrine, epinephrine and isoproterenol using docking and molecular dynamics(md) simulation. the simulation was done on the assumption that beta(2)ar was surrounded with explicit water and infinite lipid bilayer membrane at body temperature. so the result should be close to that under the physiological conditions. we calculated the structure of binding sites in beta(2)ar for the three activators. we also simulated the change of the conformation of beta(2)ar in the transmembrane regions(tms), in the molecular switches, and in the conserved dry(aspartic acid, arginine and tyrosine) motif. this study provides detailed information concerning the structure of beta(2)ar during activation process. |
| 英文摘要 | we studied the activation of beta(2)-adrenergic receptor(beta(2)ar) by norepinephrine, epinephrine and isoproterenol using docking and molecular dynamics(md) simulation. the simulation was done on the assumption that beta(2)ar was surrounded with explicit water and infinite lipid bilayer membrane at body temperature. so the result should be close to that under the physiological conditions. we calculated the structure of binding sites in beta(2)ar for the three activators. we also simulated the change of the conformation of beta(2)ar in the transmembrane regions(tms), in the molecular switches, and in the conserved dry(aspartic acid, arginine and tyrosine) motif. this study provides detailed information concerning the structure of beta(2)ar during activation process. |
| WOS标题词 | science & technology ; physical sciences |
| 类目[WOS] | chemistry, multidisciplinary |
| 研究领域[WOS] | chemistry |
| 关键词[WOS] | protein-coupled-receptor ; induced conformational-changes ; beta(2) adrenergic-receptor ; angstrom crystal-structure ; active state ; ionic lock ; rhodopsin ; binding ; adrenoceptor ; domain |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000305315100029 |
| 公开日期 | 2013-03-15 |
| 源URL | [http://ir.nwipb.ac.cn/handle/363003/3670]  |
| 专题 | 西北高原生物研究所_中国科学院西北高原生物研究所 |
| 作者单位 | 1.Chinese Acad Sci, NW Inst Plateau Biol, Key Lab Adaptat & Evolut Plateau Biota, Xining 810008, Peoples R China 2.Ludong Univ, Sch Life Sci, Shandong Key Lab Edible Mushroom Technol, Yantai 264025, Peoples R China 3.Shandong Univ, Sch Chem & Chem Engn, Jinan 250100, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhang Rui,Dong Li-hua,Ling Bao-ping,et al. Activation of beta(2)-Adrenergic Receptor Induced by Three Catecholamine Agonists: a Docking and Molecular Dynamics Study[J]. chemical research in chinese universities,2012,28(3):493-499. |
| APA | Zhang Rui,Dong Li-hua,Ling Bao-ping,Wang Zhi-guo,&Liu Yong-jun.(2012).Activation of beta(2)-Adrenergic Receptor Induced by Three Catecholamine Agonists: a Docking and Molecular Dynamics Study.chemical research in chinese universities,28(3),493-499. |
| MLA | Zhang Rui,et al."Activation of beta(2)-Adrenergic Receptor Induced by Three Catecholamine Agonists: a Docking and Molecular Dynamics Study".chemical research in chinese universities 28.3(2012):493-499. |
入库方式： OAI收割
来源：西北高原生物研究所
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