A molecular dynamics model of rhodamine-labeled phospholipid incorporated into a lipid bilayer

作者：Kyrychenko Alexander^*

来源：Chemical Physics Letters, 2010, 485(1-3): 95-99.

DOI：10.1016/j.cplett.2009.12.015

Phospholipids, labeled covalently by a fluorescent dye, are commonly applied in membrane biophysics. In this work, a molecular dynamics model of sulforhodamine attached covalently to a headgroup of 1,2-dipalmitoyl-sn-glycero-3-phosphoethanolamine is developed. It is found that the incorporation of rhodamine-labeled phospholipids into a DPPC bilayer at the low concentration results in small perturbation of the bilayer. In the dye-labeled membrane, the sulforhodamine moiety binds favorably to a polar membrane interface, forming the tilt angle 44 degrees +/- 8 degrees to the bilayer normal. The deep location and binding of a bulk sulforhodamine fluorophore lead, therefore, to some 'softening' of the membrane structure.

• 出版日期2010-1-18