Comparative Molecular Dynamics Study On Interaction Of Acetamide And Glycerol With Phospholipid Bilayer

BACKGROUND: The exact mechanisms that acetamide and glycerol interact with cell membrane remains a matter of debate. OBJECTIVE: To investigate the microscopic interactions of acetamide and glycerol with phospholipid bilayers at various temperatures. MATERIALS AND METHODS: Molecular dynamics simulations of a hydrated dipalmitoyl-phosphatidylcholine (DPPC) bilayer in the presence of glycerol and acetamide were performed. The system contains 128 lipids and about 700 cryoprotectant molecules, and simulations extended to 15 ns. RESULT: When compared to glycerol, acetamide shows a stronger affinity with water rather than the lipid bilayer. CONCLUSION: The knowledge of the mixing dynamics of present system helps to develop better cryoprotective formulas and to propose more optimal cooling/warming protocols.