肺表面活性剂单层中的表面活性剂蛋白 SP-B 和 SP-C：由特定蛋白质-脂质相互作用控制的物理性质,Langmuir

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肺表面活性剂单层中的表面活性剂蛋白 SP-B 和 SP-C：由特定蛋白质-脂质相互作用控制的物理性质
Langmuir ( IF 3.7 ) Pub Date : 2023-03-14 , DOI: 10.1021/acs.langmuir.2c03349
Juho Liekkinen ₁ , Agnieszka Olżyńska ₂ , Lukasz Cwiklik ₂ , Jorge Bernardino de la Serna _{3,

4} , Ilpo Vattulainen ₁ , Matti Javanainen _{5,

6}

Affiliation

肺泡内壁被肺表面活性物质覆盖，这是一种表面活性脂质和蛋白质的复杂混合物，能够在吸入空气和循环空气之间进行有效的气体交换。尽管肺表面活性物质的研究取得了数十年的进步，但表面活性剂的分子尺度行为以及不同脂质和蛋白质数量在表面活性剂行为中的固有作用尚未完全了解。这个复杂系统中最重要的蛋白质是表面活性蛋白 SP-B 和 SP-C。鉴于此，在这项工作中，我们进行了非平衡全原子分子动力学模拟，以研究 SP-B 和 SP-C 与多组分脂质单层的相互作用，模拟肺表面活性剂的组成。模拟由z补充-扫描荧光相关光谱和原子力显微镜测量。我们最先进的模拟模型再现了实验压力-面积等温线和横向扩散系数。与之前的研究一致，包含 SP-B 和 SP-C 会增加表面压力，我们的模拟为这种效应提供了分子尺度的解释：蛋白质显示出与磷脂酰甘油的优先脂质相互作用，它们主要存在于脂质酰基链中区域，并且它们分配到液体膨胀相中，甚至在其他堆积的单层中诱导它。后一种效果在我们的原子力显微镜图像中也可见。所做的研究有助于更好地了解特定脂质和蛋白质在表面活性剂功能中的作用，

"点击查看英文标题和摘要"

Surfactant Proteins SP-B and SP-C in Pulmonary Surfactant Monolayers: Physical Properties Controlled by Specific Protein–Lipid Interactions

The lining of the alveoli is covered by pulmonary surfactant, a complex mixture of surface-active lipids and proteins that enables efficient gas exchange between inhaled air and the circulation. Despite decades of advancements in the study of the pulmonary surfactant, the molecular scale behavior of the surfactant and the inherent role of the number of different lipids and proteins in surfactant behavior are not fully understood. The most important proteins in this complex system are the surfactant proteins SP-B and SP-C. Given this, in this work we performed nonequilibrium all-atom molecular dynamics simulations to study the interplay of SP-B and SP-C with multicomponent lipid monolayers mimicking the pulmonary surfactant in composition. The simulations were complemented by z-scan fluorescence correlation spectroscopy and atomic force microscopy measurements. Our state-of-the-art simulation model reproduces experimental pressure–area isotherms and lateral diffusion coefficients. In agreement with previous research, the inclusion of either SP-B and SP-C increases surface pressure, and our simulations provide a molecular scale explanation for this effect: The proteins display preferential lipid interactions with phosphatidylglycerol, they reside predominantly in the lipid acyl chain region, and they partition into the liquid expanded phase or even induce it in an otherwise packed monolayer. The latter effect is also visible in our atomic force microscopy images. The research done contributes to a better understanding of the roles of specific lipids and proteins in surfactant function, thus helping to develop better synthetic products for surfactant replacement therapy used in the treatment of many fatal lung-related injuries and diseases.

更新日期：2023-03-14

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