Different nanostructures caused by competition of intra- and inter-beta-sheet interactions in hierarchical self-assembly of short peptides
文献类型：期刊论文
| 作者 | Wang, YT (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, 55 East Zhongguancun Road,POB 2735, Beijing 100190, Peoples R China.; Zhou, P; Deng, L; Wang, YT ; Lu, JR; Xu, H
|
| 刊名 | JOURNAL OF COLLOID AND INTERFACE SCIENCE
 |
| 出版日期 | 2016 |
| 卷号 | 464页码:219-228 |
| 关键词 | Short Peptides Self-assembly Nanostructures Intermolecular Interactions Molecular Packing Modes Molecular Dynamics |
| DOI | http://dx.doi.org/10.1016/j.jcis.2015.11.030 |
| 英文摘要 | To understand how molecular interactions lead to the self-assembly of twisted, helical and flat nanoribbons, we have compared the hierarchical self-assembly processes of three selected octapeptides with the same amino acid composition but different sequences by both experiments and molecular dynamics (MD) simulations. KE-F8 (NH2-KEFFFFKE-CONH2) and EK-F8 (NH2-KEFFFFEK-CONH2) have the same distribution of hydrophobic residues and only differ by swapping the positive and negative charged residues at their C-terminals, while KFE-8 (NH2-KFEFKFEF-CONH2) differs from KE-F8 and EK-F8 by having all hydrophobic and charged residues evenly distributed. MD simulations indicated that the competition between electrostatic and hydrophobic interactions at the molecular level results in different initial packing modes: KE-F8 monomers form completely matched anti-parallel fl-sheets, EK-F8 monomers align with one residue shifting, and KFE-8 monomers pack beta-sheets with two heterogeneous surfaces, consistent with previously suggested models. Driven by inter-strand and inter-sheet interactions, further growth of these molecular templates leads to larger oligomers with different twisting and stacking degrees, which are structurally consistent with the experimentally observed self-assembled morphologies. Further MD simulations showed that the competition between intra-beta-sheet and inter-beta-sheet interactions is responsible for the different twisting and stacking degrees of beta-sheets and the subsequent formation of different nanostructures (twisted ribbons for KE-F8, helical ribbons/tubes for EK-F8 and flat ribbons for KFE-8). This study thus provided an important mechanistic insight into the fine tuning of molecular packing and interactions via peptide sequence variation leading to controllable self-assembly of twisted, helical and flat nanostructures. (C) 2015 Published by Elsevier Inc. |
| 学科主题 | Chemistry |
| 语种 | 英语 |
| 源URL | [http://ir.itp.ac.cn/handle/311006/21762]  |
| 专题 | 理论物理研究所_理论物理所1978-2010年知识产出 |
| 通讯作者 | Wang, YT (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, 55 East Zhongguancun Road,POB 2735, Beijing 100190, Peoples R China. |
| 推荐引用方式 GB/T 7714 | Wang, YT ,Zhou, P,Deng, L,et al. Different nanostructures caused by competition of intra- and inter-beta-sheet interactions in hierarchical self-assembly of short peptides[J]. JOURNAL OF COLLOID AND INTERFACE SCIENCE,2016,464:219-228. |
| APA | Wang, YT ,Zhou, P,Deng, L,Wang, YT,Lu, JR,&Xu, H.(2016).Different nanostructures caused by competition of intra- and inter-beta-sheet interactions in hierarchical self-assembly of short peptides.JOURNAL OF COLLOID AND INTERFACE SCIENCE,464,219-228. |
| MLA | Wang, YT ,et al."Different nanostructures caused by competition of intra- and inter-beta-sheet interactions in hierarchical self-assembly of short peptides".JOURNAL OF COLLOID AND INTERFACE SCIENCE 464(2016):219-228. |
入库方式： OAI收割
来源：理论物理研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。