Investigation of the supermolecular inclusion properties of cyclodextrin-luteolin by drug-enzyme interaction optical spectroscopy and mollecular modeling / 中国药学杂志

ABSTRACT

OBJECTIVE: To investigate the supermolecular inclusion properties of beta-cyclodextrin and luteolin by drug-enzyme interaction fluorescence spectra and analyze the similarities and differences between the interaction optical spectroscopy and the classical method. METHODS: The total energy of the stable inclusion of cyclodextrin-luteolin was calculated by Gaussian quantitative method, and the stable inclusions in the process of interaction between Lut/inclusion complex and LZM were studied by molecular modeling. RESULTS: The fluorescence spectroscopy not only represented the property of the inclusion with higher sensitivity, but also showed the conveying mechanism of LZM to inclusion compound. The molecular modeling showed consistent results with Gaussian quantum calculation; both of the two methods obtained the stable configuration of β-CD-Lut inclusion. CONCLUSION: The relevant result provides an experimental consequence for the pharmacology research of beta-cyclodextrin-luteolin inclusion complex and also offers a new reference to the research of supermolecular inclusion compound.