Molecular calculations on β-cyclodextrin inclusion complexes with five essential oil compounds from Ocimum basilicum (sweet basil)
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منابع مشابه
Molecular calculations on β-cyclodextrin inclusion complexes with five essential oil compounds from Ocimum basilicum (sweet basil)
Molecular docking and quantum chemistry calculations were used to establish the molecular model of β-cyclodextrin inclusion complex with five major compounds found in Thai sweet basil (Ocimum basilicum) essential oils, which includes linalool, eugenol, methyl eugenol, estragole, and eucalyptol. The electronic structures and the binding energies of 1:1 inclusion complexes of host:guest ratio for...
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The experiment was conducted in the Research Institute of Medicinal Plants in Poznań, Poland in 2005–2006 and concerned a collection of ten sweet basil cultivars such as: ‘Minette’, ‘Mittelgrossblättriges Grünes’, Piccolino’, ‘Rubin’, ‘Red Rubin’, ‘Genoveser’, ’Martina’ and two Polish cultivars: ‘wala’ and ‘Kasia’. Moreover, ‘Lemonette’ cultivar of Ocimum americanum L. was also included in the ...
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Ten molecularly diverse compounds, selected on the basis of the standard free energy of complexation with β-cyclodextrin, have been used as training set of molecular docking experiments. After the conformational search of each compound the Molecular Interaction Evaluation (MOLINE) program has been adopted to generate the inclusion geometries. The recognition process has been thermodynamically e...
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The purpose of this study was to evaluate the essential oils from sweet basil (Ocimum basilicum, OB) as skin permeation enhancers to promote the percutaneous absorption of drugs. The in vitro and in vivo irritancy of the essential oils was also examined. Terpenes with various carbon numbers (mono-, sesqui-, di-, and tri-) were identified in both the lower-polarity fraction (OB-1) and higher-pol...
متن کاملThermal and oxidative stability of the Ocimum basilicum L. essential oil/β-cyclodextrin supramolecular system
Ocimum basilicum L. essential oil and its β-cyclodextrin (β-CD) complex have been investigated with respect to their stability against the degradative action of air/oxygen and temperature. This supramolecular system was obtained by a crystallization method in order to achieve the equilibrium of complexed-uncomplexed volatile compounds in an ethanol/water solution at 50 °C. Both the raw essentia...
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ژورنال
عنوان ژورنال: ScienceAsia
سال: 2014
ISSN: 1513-1874
DOI: 10.2306/scienceasia1513-1874.2014.40.145