Abstract
Products of phospholipid oxidation (OXPLs) are involved with the genesis or pathology of several diseases. OXPLs can modify the physical properties of biological membranes, thereby possibly altering several biological processes near membranes including signaling pathways. We have used atomistic and course grained simulations to investigate the properties of OXPL-containing lipid bilayers. We ran self assembly simulations of mixtures of palmitoyl-oleoyl-phosphatidylcholine (POPC) with two different OXPLs: PazePC, which is anionic, and PoxnoPC, which is zwitterionic. The total sampling time exceeds 1 millisecond. Despite having shortened and polar acyl chains, the two OXPLs POPC self assemble into stable lipid bilayers with POPC. The bilayers can accommodate at least 25% OXPL, although such bilayers have a lower area compressibility modulus. As as example of the modification of a membrane-associated biological process, we show that KALP-23 peptides partition differently in POPC-OXPL and POPC bilayers. The peptides adopt a transmembrane orientation more easily when OXPLs are present in the bilayers.
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