An alternative mechanism for the formation of high density lipoprotein in peripheral tissue

High Density Lipoprotein (HDL) is a lipid-protein complex responsible for transporting cholesterol and triglyceride molecules, as these compounds are unable to dissolve in aqueous environments such as a bloodstream. Among the most well-known possible structures, the belt-like structure is the most common shape proposed for this vital bimolecular complex. In this structure, the protein scaold encompasses the lipid bilayer and a planar circular structure is formed. Several HDL simulations with embedded components in the lipid section were performed. Here, we applied a series of molecular dynamic simulations using the MARTINI coarse grain force eld to investigate an HDL model, with pores of dierent radii in the bilayer section instead of embedded components. The results of such studies revealed the probable structural modes in HDL congurations. In addition, totally, 2.5 s simulations led to a study of the ratio of lipids to protein in HDL conformation, determination of the structural shape of HDL, and the stability of each model due to atomic interaction. Furthermore, we proposed a new conformation for HDL during its initial steps of construction outside the cells and in peripheral tissue.