There has been great deal of interests in studying the effect of drugs on the structure and function of cell membranes, as drug-membrane interaction is an important part of the overall effectiveness of a drug. Many experimental and theoretical approaches have been conducted to understand the detailed mechanism of how drug would perturb membrane in such a way to modify its physical property, such as water permeability. The water permeability is known to be sensitive to the composition and surrounding of the membrane.  Drugs such as caffeine can modify membrane structure to result in change of water permeability. To examine the effects that caffeine may have on water permeability, a DOPC (1,2-dioleoyl-sn-glycero-3-phosphocholine) (1,2-dioleoyl-sn-glycero-3-phosphocholine) with and without Cholesterol membrane was simulated with addition of varying concentration of caffeine solution. These results will provide useful comparison to the experimental water permeability measured using the Droplet interface Bilayer method. <br/>

Computational studies of the effect of caffeine on water permeability in DOPC/cholesterol model membrane

2019 Fall National Meeting

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