Comparative molecular dynamics study on interaction of acetamide and glycerol with phospholipid bilayer
1Department of Refrigeration and Cryogenics Engineering, Hefei University of Technology, Hefei, China.
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.
