Molecular dynamics of nicotinic acetylcholine receptor correlating biological functions | |
Xu, YC![]() ![]() ![]() ![]() ![]() ![]() | |
刊名 | CURRENT PROTEIN & PEPTIDE SCIENCE
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2006-06 | |
卷号 | 7期号:3页码:195-200 |
ISSN号 | 1389-2037 |
DOI | 10.2174/138920306777452321 |
文献子类 | Review |
英文摘要 | The nicotinic acetylcholine receptor (nAChR) that mediates fast intercellular communication in response to neurotransmitters is a paradigm of ligand-gated ion channels. Molecular dynamics (MD) simulations are valuable in understanding membrane protein function at atomic level, providing useful clues for further experimental/theoretical studies. In this brief review, recent progress in MD simulations of the nAChR has been illustrated, mainly focusing on the latest simulation of the whole transmembrane domain of the receptor. On the basis of MD simulations, asymmetrical and asynchronous motions of five subunits were observed both in the ligand binding and transmembrane domains; a closed-to-open conformational shift of the gate was captured in different simulation systems; the contributions from the lipid molecules and other transmembrane segments rather than M2 to the gate switch as well as the conformational change of the whole channel were assessed; the dynamic behavior and related physical/chemical properties of the water molecules and cations within the ion channel were examined; and an experimentally comparable single-channel conductance and ion selectivity were obtained. |
WOS关键词 | LIGAND-BINDING DOMAIN ; NORMAL-MODE ANALYSIS ; GATED ION CHANNELS ; SECONDARY STRUCTURE ; GATING MECHANISM ; TRANSMEMBRANE SEGMENT ; INFRARED-SPECTROSCOPY ; EXTRACELLULAR DOMAIN ; SPATIAL STRUCTURE ; LIPID-BILAYERS |
WOS研究方向 | Biochemistry & Molecular Biology |
语种 | 英语 |
出版者 | BENTHAM SCIENCE PUBL LTD |
WOS记录号 | WOS:000238251100002 |
内容类型 | 期刊论文 |
源URL | [http://119.78.100.183/handle/2S10ELR8/273575] ![]() |
专题 | 药物发现与设计中心 中科院受体结构与功能重点实验室 新药研究国家重点实验室 |
通讯作者 | Jiang, HL |
作者单位 | 1.Chinese Acad Sci, Shanghai Inst Mat Med, State Key Lab Drug Res, Drug Discovery & Design Ctr, Shanghai 201203, Peoples R China 2.Chinese Acad Sci, Shangha Inst Biol Sci, Shanghai 201203, Peoples R China 3.Chinese Acad Sci, Grad Sch, Shanghai 201203, Peoples R China 4.E China Univ Sci & Technol, Sch Pharm, Shanghai 200237, Peoples R China |
推荐引用方式 GB/T 7714 | Xu, YC,Luo, XM,Shen, JH,et al. Molecular dynamics of nicotinic acetylcholine receptor correlating biological functions[J]. CURRENT PROTEIN & PEPTIDE SCIENCE,2006,7(3):195-200. |
APA | Xu, YC,Luo, XM,Shen, JH,Zhu, WL,Chen, KX,&Jiang, HL.(2006).Molecular dynamics of nicotinic acetylcholine receptor correlating biological functions.CURRENT PROTEIN & PEPTIDE SCIENCE,7(3),195-200. |
MLA | Xu, YC,et al."Molecular dynamics of nicotinic acetylcholine receptor correlating biological functions".CURRENT PROTEIN & PEPTIDE SCIENCE 7.3(2006):195-200. |
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