Exploring the influence of carbon nanoparticles on the formation of β-sheet-rich oligomers of IAPP₂₂₋₂₈ peptide by molecular dynamics simulation.
Exploring the influence of carbon nanoparticles on the formation of β-sheet-rich oligomers of IAPP₂₂₋₂₈ peptide by molecular dynamics simulation.
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DOI：
10.1371/journal.pone.0065579
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发表时间：
2013
期刊：
影响因子：
3.7
通讯作者：
Yao X
中科院分区：
文献类型：
--
作者：
Guo J;Li J;Zhang Y;Jin X;Liu H;Yao X
近年来纳米技术的发展使纳米材料在生物医学领域得到了广泛的应用。然而，纳米颗粒被发现干扰与许多人类疾病相关的蛋白质错误折叠和聚集。纳米颗粒是抑制还是促进蛋白质聚集，目前仍是一个有争议的问题。本研究通过分子动力学模拟研究了石墨烯、碳纳米管和C60三种碳纳米材料对胰岛淀粉样多肽片段22-28 （IAPP22-28）聚集行为的影响。研究了IAPP22-28多肽在碳纳米材料表面的不同行为。结果表明，这些纳米材料可以不同程度地阻止β-薄片的形成，并进一步影响IAPP22-28的聚集。在多肽与不同纳米粒子的相互作用中，π -π堆积和疏水相互作用是不同的。相互作用的细微差别是由于表面曲率和面积的不同。结果表明，吸附相互作用比肽间相互作用具有竞争优势。因此，IAPP22-28的纤颤可能在其早期被石墨烯或swcnts抑制。我们的研究不仅加深了对纳米材料对淀粉样蛋白形成的潜在影响的认识，而且为开发潜在的β-薄片形成抑制剂治疗II型糖尿病提供了有价值的信息。
Recent advances in nanotechnologies have led to wide use of nanomaterials in biomedical field. However, nanoparticles are found to interfere with protein misfolding and aggregation associated with many human diseases. It is still a controversial issue whether nanoparticles inhibit or promote protein aggregation. In this study, we used molecular dynamics simulations to explore the effects of three kinds of carbon nanomaterials including graphene, carbon nanotube and C60 on the aggregation behavior of islet amyloid polypeptide fragment 22–28 (IAPP22–28). The diverse behaviors of IAPP22–28 peptides on the surfaces of carbon nanomaterials were studied. The results suggest these nanomaterials can prevent β-sheet formation in differing degrees and further affect the aggregation of IAPP22–28. The π–π stacking and hydrophobic interactions are different in the interactions between peptides and different nanoparticles. The subtle differences in the interaction are due to the difference in surface curvature and area. The results demonstrate the adsorption interaction has competitive advantages over the interactions between peptides. Therefore, the fibrillation of IAPP22–28 may be inhibited at its early stage by graphene or SWCNT. Our study can not only enhance the understanding about potential effects of nanomaterials to amyloid formation, but also provide valuable information to develop potential β-sheet formation inhibitors against type II diabetes.
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影响因子：
14
作者：
Chan, Ho-Man;Xiao, Lehui;Li, Hung-Wing
通讯作者：
Li, Hung-Wing
DOI：
10.1073/pnas.0701250104
发表时间：
2007-05-22
影响因子：
11.1
作者：
Linse, Sara;Cabaleiro-Lago, Celia;Dawson, Kenneth A.
通讯作者：
Dawson, Kenneth A.
DOI：
10.1021/la203078w
发表时间：
2012-01-24
期刊：
Langmuir : the ACS journal of surfaces and colloids
影响因子：
--
作者：
Cabaleiro-Lago C;Szczepankiewicz O;Linse S
通讯作者：
Linse S
影响因子：
4.4
作者：
JORGENSEN, WL;CHANDRASEKHAR, J;KLEIN, ML
通讯作者：
KLEIN, ML
影响因子：
4.4
作者：
ESSMANN, U;PERERA, L;PEDERSEN, LG
通讯作者：
PEDERSEN, LG