Investigating partitioning of free versus macrocycle bound guest into a model POPC lipid bilayer
Harshita Kumari1, Andrew Eisenhart2, Jinnipha Pajoubpong1
1James L. Winkle College of Pharmacy, University of Cincinnati 231 Albert Sabin Way, MSB #3109 C Cincinnati OH 45267-0514 USA kumariha@ucmail.uc.edu.
RSC Advances
|May 2, 2022
Abstract:
We report on the permeation of free and macrocycle-bound avobenzone across a POPC lipid bilayer through combined neutron reflectometry experiments and molecular dynamics simulations. Results indicate that the p-phosphonated calix[8]arene macrocycle limits the avobenzone penetration into the upper leaflet of the membrane. Hence, it could serve as a useful vehicle for safer formulations.
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