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

	Activation of beta(2)-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	CHEMICAL RESEARCH IN CHINESE UNIVERSITIES ; Ling, BP; Sun, M; Bi, SW; Jing, ZH; Liu, YJ.Activation of beta(2)-Adrenergic Receptor Induced by Three Catecholamine Agonists: a Docking and Molecular Dynamics Study,CHEMICAL RESEARCH IN CHINESE UNIVERSITIES,2012,28(3):493-499
	2012-05-01
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.; 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.
内容类型	期刊论文
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
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, Ling, BP; Sun, M; Bi, SW; Jing, ZH; Liu, YJ.Activation of beta(2)-Adrenergic Receptor Induced by Three Catecholamine Agonists: a Docking and Molecular Dynamics Study,CHEMICAL RESEARCH IN CHINESE UNIVERSITIES,2012,28(3):493-499,2012.
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.
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 (2012).