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

	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
刊名	CHEM. RES. CHINESE UNIVERSITIES
	2012
卷号	28 期号:3 页码:493-499
关键词	β2-Adrenergic receptor(β2AR) G Protein coupled receptor(GPCR) Molecular dynamics Agonist Activation
中文摘要	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.
学科主题	生物科学
收录类别	CSCD
公开日期	2012-11-26
内容类型	期刊论文
源URL	[http://ir.nwipb.ac.cn/handle/363003/3512]
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
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.