Molecular dynamics of nicotinic acetylcholine receptor correlating biological functions

doi:10.2174/138920306777452321

CORC > 上海药物研究所 > 中国科学院上海药物研究所 > 药物发现与设计中心

	Molecular dynamics of nicotinic acetylcholine receptor correlating biological functions
	Xu, YC; Luo, XM; Shen, JH; Zhu, WL; Chen, KX; Jiang, HL
刊名	CURRENT PROTEIN & PEPTIDE SCIENCE
	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.