Dissecting the role of glutamine in seeding peptide aggregation

doi:10.1016/j.csbj.2021.02.014

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	Dissecting the role of glutamine in seeding peptide aggregation
	Barrera, Exequiel E.1,3; Zonta, Francesco2 ; Pantano, Sergio2,3
	2021
发表期刊	COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL (IF:4.4[JCR-2023],5.0[5-Year])
ISSN	2001-0370
卷号	19 页码:1595-1602
DOI	10.1016/j.csbj.2021.02.014
摘要	Poly glutamine and glutamine-rich peptides play a central role in a plethora of pathological aggregation events. However, biophysical characterization of soluble oligomers-the most toxic species involved in these processes-remains elusive due to their structural heterogeneity and dynamical nature. Here, we exploit the high spatio-temporal resolution of coarse-grained simulations as a computational microscope to characterize the aggregation propensity and morphology of a series of polyglutamine and glutaminerich peptides. Comparative analysis of ab-initio aggregation pinpointed a double role for glutamines. In the first phase, glutamines mediate seeding by pairing monomeric peptides, which serve as primers for higher-order nucleation. According to the glutamine content, these low molecular-weight oligomers may then proceed to create larger aggregates. Once within the aggregates, buried glutamines continue to play a role in their maturation by optimizing solvent-protected hydrogen bonds networks. (C) 2021 Published by Elsevier B.V. on behalf of Research Network of Computational and Structural Biotechnology.
关键词	Polyglutamine diseases Peptide aggregation Toxic oligomers Molecular dynamics Coarse grained modelling
收录类别	SCIE ; EI
语种	英语
WOS研究方向	Biochemistry & Molecular Biology ; Biotechnology & Applied Microbiology
WOS类目	Biochemistry & Molecular Biology ; Biotechnology & Applied Microbiology
WOS记录号	WOS:000684869500007
出版者	ELSEVIER
原始文献类型	Article
引用统计	正在获取...
文献类型	期刊论文
条目标识符	https://kms.shanghaitech.edu.cn/handle/2MSLDSTB/128112
专题	免疫化学研究所免疫化学研究所_特聘教授组_Michael Levitt组
通讯作者	Zonta, Francesco; Pantano, Sergio
作者单位	1.Univ Nacl Cuyo UNCuyo, Inst Histol & Embriol IHEM, CONICET, CC56, Mendoza, Argentina; 2.ShanghaiTech Univ, Shanghai Inst Adv Immunochem Studies, Shanghai 201210, Peoples R China; 3.Inst Pasteur Montevideo, Biomol Simulat Grp, Mataojo 2020, Montevideo 11400, Uruguay
通讯作者单位	免疫化学研究所
推荐引用方式 GB/T 7714	Barrera, Exequiel E.,Zonta, Francesco,Pantano, Sergio. Dissecting the role of glutamine in seeding peptide aggregation[J]. COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL,2021,19:1595-1602.
APA	Barrera, Exequiel E.,Zonta, Francesco,&Pantano, Sergio.(2021).Dissecting the role of glutamine in seeding peptide aggregation.COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL,19,1595-1602.
MLA	Barrera, Exequiel E.,et al."Dissecting the role of glutamine in seeding peptide aggregation".COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL 19(2021):1595-1602.