Abstract

Essential oils have attracted a continuous interest due to their varied biological activity. In order to overcome one of their major drawbacks, the low solubility, various encapsulation methods have been intensively studied. In this paper, nine natural polysaccharides have been investigated as possible nanocarriers for some terpene alcohols. Prior to the molecular docking study, the alcohols have been characterized by means of the global reactivity descriptors like HOMO-LUMO gap, chemical potential and electrophilicity; also, their radical-scavenging ability has been evaluated by means of two thermodynamic parameters, BDE (Bond Dissociation Energy) and IP (Ionization Potential). The results of the molecular docking study showed that best results have been obtained for inulin (among the polysaccharides) and terpineol (among the alcohols).

Details

Title
Theoretical evaluation of some natural polysaccharides as nanocarriers for the terpene alcohols from essential oils
Author
Căta, Adina 1 ; Pop, Raluca 2 ; Tchiakpe-Antal, Diana 2 ; Ardelean, Florina 2 ; Ruse, Graţiana 2 ; Ioana MC Ienaşcu 3 

 National Institute of Research and Development for Electrochemistry and Condensed Matter, 144 Dr. A. P. Podeanu, 300569 Timişoara, Romania 
 Faculty of Pharmacy, University of Medicine and Pharmacy “Victor Babeş” Timisoara, Eftimie Murgu Square 2, 300041 Timişoara, Romania 
 National Institute of Research and Development for Electrochemistry and Condensed Matter, 144 Dr. A. P. Podeanu, 300569 Timişoara, Romania; Department of Pharmaceutical Sciences, Faculty of Pharmacy, “Vasile Goldiș” Western University of Arad, 86 Liviu Rebreanu, 310045 Arad, Romania 
Pages
20-28
Publication year
2025
Publication date
2025
Publisher
De Gruyter Poland
ISSN
15832430
e-ISSN
2286038X
Source type
Scholarly Journal
Language of publication
English
ProQuest document ID
3206824865
Copyright
© 2025. This work is published under http://creativecommons.org/licenses/by-nc-nd/3.0 (the “License”). Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License.