College of Pharmacy, Gachon University of Medicine and Science, Incheon, South Korea.
Gachon Institute of Pharmaceutical Science & Department of Pharmacy, College of Pharmacy, Gachon University, Incheon, South Korea.
J Biomol Struct Dyn. 2021 Mar;39(4):1343-1353. doi: 10.1080/07391102.2020.1730972. Epub 2020 Mar 2.
Electroporation processes affect the permeability of cell membranes, which can be utilized for the delivery of plasma species in cancer therapy. By means of computational dynamics, many aspects of membrane electroporation have been unveiled at the atomic level for lipid membranes. Herein, a molecular dynamics simulation study was performed on native and oxidized membrane systems with transversal electric fields. The simulation result shows that the applied electric field mainly affects the membrane properties so that electroporation takes place and these pores are lined by hydrophilic headgroups of the lipid components. The calculated hydrophobic thickness, lateral diffusion and pair correlation revealed the role of 5α-CH in creation of water-pore in an oxidized membrane. Additionally, the permeability of reactive oxygen species was examined through these electroporated systems. The permeability study suggested that water pores in the membrane facilitate the penetration of these species across the membrane to the interior of the cell. These findings may have significance in experimental applications as once the reactive oxygen species reaches the interior of the cell, they may cause oxidative stress and induce apoptosis.Communicated by Ramaswamy H. Sarma.
电穿孔过程会影响细胞膜的通透性，可用于癌症治疗中向细胞内输送血浆物质。借助计算动力学，在原子水平上已经揭示了脂质膜的许多膜电穿孔方面。在此，对具有横向电场的天然和氧化膜系统进行了分子动力学模拟研究。模拟结果表明，外加电场主要影响膜的性质，从而导致电穿孔，并且这些孔由脂质成分的亲水头基排列。计算出的疏水性厚度、侧向扩散和配对相关揭示了 5α-CH 在氧化膜中形成水孔的作用。此外，还通过这些电穿孔系统检查了活性氧物质的通透性。通透性研究表明，膜中的水孔有利于这些物质穿过膜进入细胞内部。这些发现可能在实验应用中具有重要意义，因为一旦活性氧物质到达细胞内部，它们可能会引起氧化应激并诱导细胞凋亡。由 Ramaswamy H. Sarma 传达。
