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.