Activation of β2-Adrenergic Receptor Induced by Three Catecholamine Agonists: a Docking and Molecular Dynamics Study

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	Activation of β2-Adrenergic Receptor Induced by Three Catecholamine Agonists: a Docking and Molecular Dynamics Study
	ZHANG Rui; DONG Li-hua; LING Bao-ping; WANG Zhi-guo; LIU Yong-jun
	2012
发表期刊	CHEM. RES. CHINESE UNIVERSITIES
卷号	28 期号:3 页码:493-499
摘要	We studied the activation of β2-adrenergic receptor(β2AR) by norepinephrine, epinephrine and isoproterenol using docking and molecular dynamics(MD) simulation. The simulation was done on the assumption that β2AR 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 β2AR for the three activators. We also simulated the change of the conformation of β2AR 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 β2AR during activation process.
关键词	Β2-adrenergic Receptor(Β2ar) g Protein Coupled Receptor(Gpcr) Molecular Dynamics Agonist Activation
学科领域	生物科学
收录类别	CSCD
引用统计
文献类型	期刊论文
条目标识符	http://210.75.249.4/handle/363003/3512
专题	中国科学院西北高原生物研究所
推荐引用方式 GB/T 7714	ZHANG Rui,DONG Li-hua,LING Bao-ping,et al. Activation of β2-Adrenergic Receptor Induced by Three Catecholamine Agonists: a Docking and Molecular Dynamics Study[J]. CHEM. RES. 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 β2-Adrenergic Receptor Induced by Three Catecholamine Agonists: a Docking and Molecular Dynamics Study.CHEM. RES. CHINESE UNIVERSITIES,28(3),493-499.
MLA	ZHANG Rui,et al."Activation of β2-Adrenergic Receptor Induced by Three Catecholamine Agonists: a Docking and Molecular Dynamics Study".CHEM. RES. CHINESE UNIVERSITIES 28.3(2012):493-499.

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