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首页> 外文期刊>Biophysical Chemistry: An International Journal Devoted to the Physical Chemistry of Biological Phenomena >Effect of concentration of PEG coated gold nanoparticle on lung surfactant studied with coarse-grained molecular dynamics simulations
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Effect of concentration of PEG coated gold nanoparticle on lung surfactant studied with coarse-grained molecular dynamics simulations

机译：PEG涂层金纳米粒子浓度对粗粒分子动力学模拟研究肺表面活性剂的影响

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摘要

The surface modification of nanoparticles can not only change the physical and chemical properties of particles, such as the hydrophilic and hydrophobic properties and surface charges of nanoparticles to a certain extent, but also bring new functions to nanoparticles, such as membrane permeability and targeting. Inhaled nanoparticles (NPs) are experienced by the first biological barrier inside the alveolus known as lung surfactant (LS), consisting of phospholipids and proteins in the form of the monolayer at the air-water interface. Inhaled NPs can reach deep into the lungs and interfere with the biophysical properties of the lung components. The interaction mechanisms of bare gold nanoparticles (AuNPs) with the LS monolayer are not well understood. Coarse-grained molecular dynamics simulations were carried out to have a study on the interactions of PEG coated AuNPs with LS monolayers. It was observed that the interactions of AuNPs and LS components make the monolayer structure deform and change the biophysical properties of LS monolayer. The results also indicate that AuNPs with high concentrations hinder the lowering of the LS surface tension and reduce lateral mobility of lipids. Overall, the simulation results can provide guidance for the design of ligand protected NPs as drug carriers and can identify the nanoparticles potential side effect on lung surfactant.
机译：纳米颗粒的表面改性不仅可以在一定程度上改变颗粒的物理和化学性质，例如亲水和疏水性质和纳米颗粒的表面电荷，而且还将新功能带入纳米颗粒，例如膜渗透性和靶向。吸入的纳米颗粒（NPS）通过称为肺表面活性剂（LS）的肺泡内的第一生物屏障，由气水界面的单层形式的磷脂和蛋白质组成。吸入的NPS可以深入肺部并干扰肺组分的生物物理性质。裸金纳米粒子（AUNP）与LS单层的相互作用机制并不顺利。进行了粗粒化分子动力学模拟，以研究PEG涂覆的肛门与LS单层的相互作用。观察到，AUNP和LS组分的相互作用使单层结构变形并改变LS单层的生物物理性质。结果还表明，具有高浓度的剖腹产阻碍了LS表面张力的降低并降低了脂质的横向迁移率。总体而言，仿真结果可以为韧带保护NPS设计提供指导，作为药物载体，可以识别对肺表面活性剂的纳米颗粒电位副作用。

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