Hryc Jakub, Szczelina Robert, Markiewicz Michal, Pasenkiewicz-Gierula Marta
Faculty of Biochemistry, Biophysics and Biotechnology, Jagiellonian University, Krakow, Poland.
Faculty of Mathematics and Computer Science, Jagiellonian University, Krakow, Poland.
Front Mol Biosci. 2022 Aug 15;9:958537. doi: 10.3389/fmolb.2022.958537. eCollection 2022.
In this study, carried out using computational methods, the organisation of the lipid/water interface of bilayers composed of galactolipids with both α-linolenoyl acyl chains is analysed and compared in three different lyotropic liquid-crystalline phases. These systems include the monogalactosyldiglyceride (MGDG) and digalactosyldiglyceride (DGDG) bilayers in the lamellar phase, the MGDG double bilayer during stalk phase formation and the inverse hexagonal MGDG phase. For each system, lipid-water and direct and water-mediated lipid-lipid interactions between the lipids of one bilayer leaflet and those of two apposing leaflets at the onset of new phase (stalk) formation, are identified. A network of interactions between DGDG molecules and its topological properties are derived and compared to those for the MGDG bilayer.
在本研究中,采用计算方法对由具有两条α-亚麻酸酰基链的半乳糖脂构成的双层膜的脂质/水界面结构进行了分析,并在三种不同的溶致液晶相中进行了比较。这些体系包括层状相中的单半乳糖二甘油酯(MGDG)和二半乳糖二甘油酯(DGDG)双层膜、茎干相形成过程中的MGDG双分子层以及反六角形MGDG相。对于每个体系,确定了在新相(茎干)形成开始时,一个双层小叶的脂质与两个相对小叶的脂质之间的脂质-水相互作用以及直接和水介导的脂质-脂质相互作用。推导了DGDG分子之间的相互作用网络及其拓扑性质,并与MGDG双层膜的进行了比较。