Inclusion Complex of β-CD-DZ as a nanocarrier: Preparation, Spectroscopic characterization, Thermodynamic parameters and molecular modelling Study
محورهای موضوعی : Journal of Chemical Reactivity and SynthesisFatemeh Fateminasab 1 , Abdol-Khalegh Bordbar 2
1 - Department of Chemistry, University of Isfahan, Isfahan, 8174673441, Iran
2 - Department of Chemistry, University of Isfahan, Isfahan, 8174673441, Iran
کلید واژه: 1H-NMR, Molecular docking, β-Cyclodextrin (β-CD), Daidzein (DZ), inclusion complex (IC),
چکیده مقاله :
The β-CD-DZ inclusion complex was prepared via freeze-drying method and characterized by using various spectroscopic techniques. The phase solubility diagram and Job plot showed the formation of a soluble complex of AL type (1:1 stoichiometric IC) with improved solubility and stability. The thermodynamic parameters for the β-CD-DZ IC formation were determined and analyzed on basis of involved driving forces. The results showed the reaction process in mainly entropy driven and endothermic that assigned the predominant role of hydrophobic interaction in the formation of β-CD-DZ complex. In conclusion, a comprehensive computational study has been done on formation process of β-CD-DZ IC using molecular docking methods. In case of β-CD-DZ IC, the results of thermodynamic parameters, molecular docking confirmed stable complex formation between β-CD-DZ and also DZ included into a narrow site of inner cavity of β-CD.
