Inclusion Complex of β-CD-DZ as a nanocarrier: Preparation, Spectroscopic characterization, Thermodynamic parameters and molecular modelling Study

The β-CD-DZ inclusion complex was prepared via freeze-drying method and characterizedby using various spectroscopic techniques. The phase solubility diagram and Job plot showed theformation of a soluble complex of AL type (1:1 stoichiometric IC) with improved solubility andstability. The thermodynamic parameters for the β-CD-DZ IC formation were determined and analyzedon basis of involved driving forces. The results showed the reaction process in mainly entropy drivenand 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 formationprocess of β-CD-DZ IC using molecular docking methods. In case of β-CD-DZ IC, the results ofthermodynamic parameters, molecular docking confirmed stable complex formation between β-CDDZand also DZ included into a narrow site of inner cavity of β-CD.

کلیدواژه ها:

β-Cyclodextrin (β-CD) ، Daidzein (DZ) ، 1H-NMR ، inclusion complex (IC) and Molecular docking