Putative hAPN receptor binding sites in SARS_CoV spike protein

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	Putative hAPN receptor binding sites in SARS_CoV spike protein
	Yu, XJ ; Luo, C; Lin, JC ; Hao, P ; He, YY ; Guo, ZM ; Qin, L ; Su, J ; Liu, BS ; Huang, Y
刊名	ACTA PHARMACOLOGICA SINICA
	2003-06
卷号	24 期号:6 页码:481-488
关键词	severe acute respiratory syndrome (SARS) CD 13 spike protein bioinformatics molecular modeling molecular docking
ISSN号	1671-4083
文献子类	Article
英文摘要	AIM: To obtain the information of ligand-receptor binding between the S protein of SARS_CoV and CD13, identify the possible interacting domains or motifs related to binding sites, and provide clues for studying the functions of SARS proteins and designing anti-SARS drugs and vaccines. METHODS: On the basis of comparative genomics, the homology search, phylogenetic analyses, and multi-sequence alignment were used to predict CD13 related interacting domains and binding sites in the S protein of SARS_CoV. Molecular modeling and docking simulation methods were employed to address the interaction feature between CD13 and S protein of SARS_CoV in validating the bioinformatics predictions. RESULTS: Possible binding sites in the SARS_CoV S protein to CD13 have been mapped out by using bioinformatics analysis tools. The binding for one protein-protein interaction pair (D757-R761 motif of the SARS_CoV S protein to P585-A653 domain of CD13) has been simulated by molecular modeling and docking simulation methods. CONCLUSION: CD13 may be a possible receptor of the SARS_CoV S protein, which may be associated with the SARS infection. This study also provides a possible strategy for mapping the possible binding receptors of the proteins in a genome.
WOS关键词	VIRUS STRAIN A59 ; HYDROPHOBIC MOMENT ; CORONAVIRUS ; IDENTIFICATION ; SEQUENCES
WOS研究方向	Chemistry ; Pharmacology & Pharmacy
语种	英语
CSCD记录号	CSCD:1272763
出版者	ACTA PHARMACOLOGICA SINICA
WOS记录号	WOS:000183575100001
内容类型	期刊论文
源URL	[http://119.78.100.183/handle/2S10ELR8/274223]
专题	新药研究国家重点实验室中科院受体结构与功能重点实验室
通讯作者	Li, YX
作者单位	1.Chinese Acad Sci, Shanghai Inst Biol Sci, Shanghai 200031, Peoples R China 2.Chinese Acad Sci, Shanghai Inst Biol Sci, Shanghai Inst Mat Med, State Key Lab Drug Res,Drug Discovery & Design Ct, Shanghai 201203, Peoples R China 3.Fudan Univ, Sch Life Sci, Shanghai 200433, Peoples R China 4.Shanghai Ctr Bioinformat Technol, Shanghai 201203, Peoples R China 5.Chinese Acad Med Sci, Inst Med Biol, Yunnan 650118, Peoples R China
推荐引用方式 GB/T 7714	Yu, XJ,Luo, C,Lin, JC,et al. Putative hAPN receptor binding sites in SARS_CoV spike protein[J]. ACTA PHARMACOLOGICA SINICA,2003,24(6):481-488.
APA	Yu, XJ.,Luo, C.,Lin, JC.,Hao, P.,He, YY.,...&Li, YX.(2003).Putative hAPN receptor binding sites in SARS_CoV spike protein.ACTA PHARMACOLOGICA SINICA,24(6),481-488.
MLA	Yu, XJ,et al."Putative hAPN receptor binding sites in SARS_CoV spike protein".ACTA PHARMACOLOGICA SINICA 24.6(2003):481-488.