Lipid distributions and transleaflet cholesterol migration near heterogeneous surfaces in asymmetric bilayers,Faraday Discussions

当前位置： X-MOL 学术 › Faraday Discuss. › 论文详情

Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)

Lipid distributions and transleaflet cholesterol migration near heterogeneous surfaces in asymmetric bilayers
Faraday Discussions ( IF 3.3 ) Pub Date : 2021-04-26 , DOI: 10.1039/d1fd00003a
Elio A Cino _{1,

2} , Mariia Borbuliak ₁ , Shangnong Hu ₁ , D Peter Tieleman ₁

Affiliation

Specific and nonspecific protein–lipid interactions in cell membranes have important roles in an abundance of biological functions. We have used coarse-grained (CG) molecular dynamics (MD) simulations to assess lipid distributions and cholesterol flipping dynamics around surfaces in a model asymmetric plasma membrane containing one of six structurally distinct entities: aquaporin-1 (AQP1), the bacterial β-barrel outer membrane proteins OmpF and OmpX, the KcsA potassium channel, the WALP23 peptide and a carbon nanotube (CNT). Our findings revealed varied lipid partitioning and cholesterol flipping times around the different solutes and putative cholesterol binding sites in AQP1 and KcsA. The results suggest that protein–lipid interactions can be highly variable, and that surface-dependent lipid profiles are effectively manifested in CG simulations with the Martini force field.

中文翻译：

不对称双层中异质表面附近的脂质分布和跨叶胆固醇迁移

细胞膜中的特异性和非特异性蛋白质-脂质相互作用在丰富的生物学功能中具有重要作用。我们使用粗粒度 (CG) 分子动力学 (MD) 模拟来评估模型不对称质膜中表面周围的脂质分布和胆固醇翻转动力学，该模型包含六种结构不同的实体之一：水通道蛋白-1 (AQP1)，细菌 β-桶外膜蛋白 OmpF 和 OmpX、KcsA 钾通道、WALP23 肽和碳纳米管 (CNT)。我们的研究结果揭示了 AQP1 和 KcsA 中不同溶质和假定的胆固醇结合位点周围的不同脂质分配和胆固醇翻转时间。结果表明，蛋白质-脂质相互作用可能是高度可变的，

更新日期：2021-04-26

点击分享查看原文

点击收藏

公开下载

阅读更多本刊最新论文本刊介绍/投稿指南11