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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).
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Details
1 National Institute of Research and Development for Electrochemistry and Condensed Matter, 144 Dr. A. P. Podeanu, 300569 Timişoara, Romania
2 Faculty of Pharmacy, University of Medicine and Pharmacy “Victor Babeş” Timisoara, Eftimie Murgu Square 2, 300041 Timişoara, Romania
3 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