Phosphatidylcholine in the tear film of the eye: enhanced topical delivery of fluorometholone to the eye

چکیده مقاله

In this study, the ability of the phosphatidylcholine (PC) molecule, which is in the tear films in human eyes, to release the fluorometholone (FLU) drug from the sulfobutylether-β-cyclodextrin (SBE-β-CD) carrier, is investigated. The binding energy obtained from the density functional theory (DFT) calculations shows that the PC molecule affinity to bind with the SBE-β-CD is higher than that of the FLU molecule. In addition, the results of molecular dynamic (MD) simulations revealed that PC could interact with the carrier through both coulombic and L-J interactions (Ecoul = ~