Abstract
Palm oil-based esters (POEs) are unsaturated and non-ionic esters with a great potential to act as chemical penetration enhancers and drug carriers for transdermal drug nano-delivery. A ratio of palmitate ester and nonionic Tween80 with and without diclofenac acid was chosen from an experimentally determined phase diagram. Molecular dynamics simulations were performed for selected compositions over a period of 15 ns. Both micelles showed a prolate-like shape, while adding the drug produced a more compact micellar structure. Our results proposed that the drug could behave as a co-surfactant in our simulated model.
Highlights
Transdermal drug delivery offers many advantages, such as a continuous release into the blood over a longer time and the elimination of gastrointestinal difficulties [1]
The lower stability of the oleyl palmitate (OP)/T80 system in 15 ns may suggest that exchange with the bulk solution is a fast process for this model micelle [28]
Tween80 was used as a surfactant in our study, but due to the characteristic properties of diclofenac molecule, we suggest that diclofenac may have behaved as a co-surfactant in the self-assembly process
Summary
Transdermal drug delivery offers many advantages, such as a continuous release into the blood over a longer time and the elimination of gastrointestinal difficulties [1]. The main problem is the skin barrier, which is a rigid lipid bilayer structure at the stratum corneum. Nanoemulsions, due to their very small droplet size and long-term physical stability, have been introduced as a potential solution to this problem. Nanoemulsions can increase the permeation of the drug in a number of diseases and disorders, such as Parkinson’s and Alzheimer’s diseases [2,3]. The chemical constituents of the nanoemulsion system are considered to be chemical permeation enhancers (CPEs). Nanoemulsions of palm oil-based esters (POEs) have been suggested as potential CPEs due to their lipophilic properties [5]
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