Electroporation of the E. coli and S. Aureus Membranes: Molecular Dynamics Simulations of Complex Bacterial Membranes
Electroporation of the E. coli and S. Aureus Membranes: Molecular Dynamics Simulations of Complex Bacterial Membranes
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DOI：
10.1021/jp207013v
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发表时间：
2011-11-17
影响因子：
3.3
通讯作者：
Khalid, Syma
中科院分区：
文献类型：
--
作者：
Piggot, Thomas J.;Holdbrook, Daniel A.;Khalid, Syma
细菌膜是由多种脂质类型组成的复杂细胞器。它们的成分差异是决定其相对渗透率的关键因素。抗菌剂的成功取决于它们与细菌膜的相互作用，但人们对不同细菌种类膜内分子水平的相互作用知之甚少。为了解决这个问题，我们对两种细菌膜进行了分子动力学模拟：大肠杆菌的外膜和金黄色葡萄球菌的细胞膜。通过考虑膜的脂质成分的细节，我们保留了膜的化学复杂性。我们确定了稳定膜的脂质相互作用的扩展网络。我们的电穿孔模拟表明，金黄色葡萄球菌细胞膜对穿孔的抵抗力低于大肠杆菌外膜。两种膜的穿孔机制有细微的差别；对于大肠杆菌外膜，两个小叶脂质迁移率的相对差异是穿孔过程的关键。
Bacterial membranes are complex organelles composed of a variety of lipid types. The differences in their composition are a key factor in determining their relative permeabilities. The success of antibacterial agents depends upon their interaction with bacterial membranes, yet little is known about the molecular-level interactions within membranes of different bacterial species. To address this, we have performed molecular dynamics simulations of two bacterial membranes: the outer membrane of E. coli and the cell membrane of S. aureus. We have retained the chemical complexity of the membranes by considering the details of their lipidic components. We identify the extended network of lipid lipid interactions that stabilize the membranes. Our simulations of electroporation show that the S. aureus cell membrane is less resistant to poration than the E. coli outer membrane. The mechanisms of poration for the two membranes have subtle differences; for the E. coli outer membrane, relative differences in mobilities of the lipids of both leaflets are key in the process of poration.