On Protein Crowding and Bilayer Bulging in Spontaneous Vesicle Formation

详细信息    查看全文

• 作者：Bram van Hoof ; Albert J. Markvoort ; Rutger A. van Santen ; Peter A. J. Hilbers
• 刊名：The Journal of Physical Chemistry B
• 出版年：2012
• 出版时间：October 25, 2012
• 年：2012
• 卷：116
• 期：42
• 页码：12677-12683
• 全文大小：360K
• 年卷期：v.116,no.42(October 25, 2012)
• ISSN：1520-5207

文摘

Spontaneous aggregation of lipids into bilayers and vesicles is a key property for the formation of biological membranes. Understanding the compartmentalization achieved by vesicle formation is an important step toward understanding the origin of life, and is crucial in current efforts to develop artificial life. Spontaneously formed vesicles may be applied as artificial cells if they can efficiently encapsulate biomacromolecules. Recent studies report an enhanced concentration of encapsulated proteins during vesicle formation. In order to obtain more insight into this encapsulation process, here we simulate the spontaneous transition of flat bilayers to vesicles in the presence of solvated model proteins using molecular dynamics simulations. In the bilayer鈥搗esicle transition, which is found to be unaffected by the presence of the solvated proteins, the bilayer edge remains at almost the same height, while the center of the membrane bulges out, a molecular pathway we denominate 鈥渂ilayer bulging鈥? This bulging results in an interior protein concentration that is significantly lower than that of the solution. By means of an increased protein鈥搈embrane interaction, enhanced encapsulation of proteins inside the vesicles could be achieved in our simulations.