Activation of beta(2)-Adrenergic Receptor Induced by Three Catecholamine Agonists: a Docking and Molecular Dynamics Study

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	Activation of beta(2)-Adrenergic Receptor Induced by Three Catecholamine Agonists: a Docking and Molecular Dynamics Study
	Zhang Rui 1,2; Dong Li-hua 1; Ling Bao-ping 3; Wang Zhi-guo 1; Liu Yong-jun 1
	2012-05-01
发表期刊	CHEMICAL RESEARCH IN CHINESE UNIVERSITIES
ISSN	1005-9040
卷号	28 期号:3 页码:493-499
文章类型	Article
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.; 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.
关键词	Beta(2)-adrenergic Receptor(Beta(2)Ar) g Protein Coupled Receptor(Gpcr) Molecular Dynamics Agonist Activation
WOS标题词	Science & Technology ; Physical Sciences
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研究方向	Chemistry
WOS类目	Chemistry, Multidisciplinary
WOS记录号	WOS:000305315100029
引用统计	被引频次：3[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://210.75.249.4/handle/363003/3670
专题	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.