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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Detalles Bibliográficos
Autores principales: Karjiban, Roghayeh Abedi, Basri, Mahiran, Rahman, Mohd Basyaruddin Abdul, Salleh, Abu Bakar
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Molecular Diversity Preservation International (MDPI) 2012
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3431814/
https://www.ncbi.nlm.nih.gov/pubmed/22949816
http://dx.doi.org/10.3390/ijms13089572
Descripción
Sumario: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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