Molecular dynamics simulation of palmitate ester self-assembly with diclofenac
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 d...
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| Main Authors: | , , , |
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| Format: | Article |
| Language: | en |
| Published: |
MDPI
2012
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| Online Access: | http://psasir.upm.edu.my/id/eprint/77975/1/77975.pdf http://psasir.upm.edu.my/id/eprint/77975/ https://www.mdpi.com/1422-0067/13/8/9572 |
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| Summary: | 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. |
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