Citation
Karjiban, Roghayeh Abedi and Basri, Mahiran and Abdul Rahman, Mohd Basyaruddin and Salleh, Abu Bakar
(2012)
Molecular dynamics simulation of palmitate ester self-assembly with diclofenac.
International Journal of Molecular Sciences, 13 (8).
pp. 9572-9583.
ISSN 1661-6596; ESSN: 1422-0067
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.
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Additional Metadata
| Item Type: | Article |
|---|---|
| Divisions: | Faculty of Science Institute of Bioscience |
| DOI Number: | https://doi.org/10.3390/ijms13089572 |
| Publisher: | MDPI |
| Keywords: | Palmitate ester; Tween80; Diclofenac acid; Self-assembly; Molecular dynamics simulation |
| Depositing User: | Nabilah Mustapa |
| Date Deposited: | 01 Jun 2020 03:00 |
| Last Modified: | 01 Jun 2020 03:00 |
| Altmetrics: | http://www.altmetric.com/details.php?domain=psasir.upm.edu.my&doi=10.3390/ijms13089572 |
| URI: | http://psasir.upm.edu.my/id/eprint/77975 |
| Statistic Details: | View Download Statistic |
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