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  4. 新药研究国家重点实验室
Computational characterization of transducer recognition of 132 adrenergic receptor

文献类型：期刊论文

作者Zhao, Lifen2; He, Xinheng1,2; Jiang, Hualiang1,2,3; Cheng, Xi1,2,3
刊名BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS
出版日期2022-02-12
卷号592页码:67-73
关键词Class A G-protein coupled receptor Coupling selectivity Transducer-binding interface Functional signal Complex models
ISSN号0006-291X
DOI10.1016/j.bbrc.2022.01.012
通讯作者Jiang, Hualiang(hljiang@simm.ac.cn) ; Cheng, Xi(xicheng@simm.ac.cn)
英文摘要As an important drug target, 132 adrenergic receptor (B2AR) regulates many physiological processes, including cardiac function, airway tone and metabolic functions. The selective coupling between B2AR and specific transducers is critical for the physiological action of the receptor. However, the molecular mechanism by which B2AR recognizes different transducers remains elusive. Here, molecular dynamics simulations of B2AR binding to three functionally important transducers (Gs, Gi and 13-arrestin 1) unveiled distinct binding modes of the receptor. Involving transmembrane helices TMs 2-7 and intracellular loops ICLs 2-3, different binding interfaces for Gs and 13-arrestin 1 were identified in the simulation models and further validated by various assays. The distinct recognition mode of B2AR for Gi was computationally characterized. Insights into receptor-transducer communication not only enhance our understanding of signaling bias, but also offer hints for rational drug design targeting specific signaling pathways of G-protein coupled receptors (GPCRs). (c) 2022 The Authors. Published by Elsevier Inc. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).
WOS关键词BETA-ARRESTIN ; PROTEIN
WOS研究方向Biochemistry & Molecular Biology ; Biophysics
语种英语
WOS记录号WOS:000768169300008
出版者ACADEMIC PRESS INC ELSEVIER SCIENCE
源URL[http://119.78.100.183/handle/2S10ELR8/300003]  
专题新药研究国家重点实验室
通讯作者Jiang, Hualiang; Cheng, Xi
作者单位1.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
2.Chinese Acad Sci, Shanghai Inst Mat Med, State Key Lab Drug Res & Drug Discovery & Design, Shanghai 201203, Peoples R China
3.Hangzhou Inst Adv Study, Sch Pharmaceut Sci & Technol, Hangzhou 310024, Peoples R China
推荐引用方式
GB/T 7714		 Zhao, Lifen,He, Xinheng,Jiang, Hualiang,et al. Computational characterization of transducer recognition of 132 adrenergic receptor[J]. BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS,2022,592:67-73.
APA Zhao, Lifen,He, Xinheng,Jiang, Hualiang,&Cheng, Xi.(2022).Computational characterization of transducer recognition of 132 adrenergic receptor.BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS,592,67-73.
MLA Zhao, Lifen,et al."Computational characterization of transducer recognition of 132 adrenergic receptor".BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS 592(2022):67-73.

入库方式： OAI收割

来源：上海药物研究所

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