标题:Activation of beta(2)-Adrenergic Receptor Induced by Three Catecholamine Agonists: a Docking and Molecular Dynamics Study
作者:Zhang Rui; Dong Li-hua; Ling Bao-ping; Wang Zhi-guo; Liu Yong-jun
作者机构:[Zhang, R] Shandong Key Laboratory of Edible Mushroom Technology, School of Life Sciences, Ludong University, Yantai 264025, China, Key Laboratory of 更多
通讯作者:Liu, YJ(yongjunliu_1@sdu.edu.cn)
通讯作者地址:[Liu, YJ]Chinese Acad Sci, NW Inst Plateau Biol, Key Lab Adaptat & Evolut Plateau Biota, Xining 810008, Peoples R China.
来源:高等学校化学研究(英文版)
出版年:2012
卷:28
期:3
页码:493-499
关键词:β2-Adrenergic receptor(β2AR);G Protein coupled receptor(GPCR);Molecular dynamics;Agonist;Activation
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 ofβ2AR 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 ofβ2AR during activation process.
收录类别:CSCD;SCOPUS;SCIE
WOS核心被引频次:3
Scopus被引频次:3
资源类型:期刊论文
原文链接:https://www.scopus.com/inward/record.uri?eid=2-s2.0-84864511420&partnerID=40&md5=8a5a2ec28a1c52fadb5aa08d1b668c77
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