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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
2012-05-01
发表期刊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
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.
文献类型期刊论文
条目标识符http://210.75.249.4/handle/363003/31784
专题中国科学院西北高原生物研究所
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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).
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