Interactions of Truncated Menaquinones in Lipid Monolayers and Bilayers.
Interactions of Truncated Menaquinones in Lipid Monolayers and Bilayers.
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DOI：
10.3390/ijms22189755
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发表时间：
2021-09-09
影响因子：
5.6
通讯作者：
Crans DC
中科院分区：
文献类型：
--
作者：
Van Cleave C;Koehn JT;Pereira CS;Haase AA;Peters BJ;Croslow SW;McLaughlin KG;Werst KR;Goach AL;Crick DC;Arantes GM;Crans DC
甲基萘醌（MK）是由萘醌头基和重复异戊二烯基侧链组成的疏水分子，并且是用于细菌电子传递系统以产生细胞能量的辅因子。我们以前已经证明，截断MK同系物，MK-1和MK-2，在溶液和反胶束微乳液中的折叠构象依赖于环境。关于MK如何在模型膜系统中与磷脂结合以及MK如何影响磷脂组织的信息很少。在这篇手稿中，我们使用了一个结合的朗缪尔单层研究和分子动力学（MD）模拟，以探讨这些问题的截断MK同系物，MK-1至MK-4在一个模型膜。我们观察到，截短的MK比泛醌更靠近磷脂尾部，更远离界面水。我们还观察到，在存在截短的MK的情况下，磷脂包装在生理压力下不改变，尽管在存在泛醌的情况下观察到磷脂包装的差异。我们发现，通过MD模拟，截短的MK，折叠构象变化，但MK的位置和协会与双层保持不变，在生理条件下，无论侧链长度。结合起来，这份手稿提供了基本的信息，实验和计算，在模型膜环境中相关的细菌能源生产的位置，协会和构象的截断MK同系物。
Menaquinones (MK) are hydrophobic molecules that consist of a naphthoquinone headgroup and a repeating isoprenyl side chain and are cofactors used in bacterial electron transport systems to generate cellular energy. We have previously demonstrated that the folded conformation of truncated MK homologues, MK-1 and MK-2, in both solution and reverse micelle microemulsions depended on environment. There is little information on how MKs associate with phospholipids in a model membrane system and how MKs affect phospholipid organization. In this manuscript, we used a combination of Langmuir monolayer studies and molecular dynamics (MD) simulations to probe these questions on truncated MK homologues, MK-1 through MK-4 within a model membrane. We observed that truncated MKs reside farther away from the interfacial water than ubiquinones are are located closer to the phospholipid tails. We also observed that phospholipid packing does not change at physiological pressure in the presence of truncated MKs, though a difference in phospholipid packing has been observed in the presence of ubiquinones. We found through MD simulations that for truncated MKs, the folded conformation varied, but MKs location and association with the bilayer remained unchanged at physiological conditions regardless of side chain length. Combined, this manuscript provides fundamental information, both experimental and computational, on the location, association, and conformation of truncated MK homologues in model membrane environments relevant to bacterial energy production.
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影响因子：
3.4
作者：
Kellermann, Matthias Y.;Yoshinaga, Marcos Y.;Valentine, David L.
通讯作者：
Valentine, David L.
影响因子：
3.3
作者：
Anézo, C;de Vries, AH;Marrink, SJ
通讯作者：
Marrink, SJ
DOI：
10.1016/0005-2736(82)90270-x
发表时间：
1982-01-01
期刊：
BIOCHIMICA ET BIOPHYSICA ACTA
影响因子：
--
作者：
KATSIKAS, H;QUINN, PJ
通讯作者：
QUINN, PJ
影响因子：
2.9
作者：
CORNELL, BA;KENIRY, MA;WESTERMAN, PW
通讯作者：
WESTERMAN, PW
影响因子：
5.5
作者：
Javanainen, Matti
通讯作者：
Javanainen, Matti