Abstract:
The inclusion complex (COR/DM
βCD) of cordycepin (COR) and dimethyl-
β-cyclodextrin (DM
βCD) was prepared by saturated solution method. The stability constant of the inclusion complex were calculated by UV-visible spectroscopy titration. The structure of COR/DM
βCD inclusion complex was characterized by nuclear magnetic resonance (NMR), infrared absorption spectroscopy (IR), scanning electron microscopy (SEM), X-ray powder diffraction (XRD) and thermal analysis (TG). The water solubility of the inclusion complex was measured. The stability of the inclusion complex was determined by simulating the decomposition of COR in human gastric juice and intestinal fluid environment. The results showed that the inclusion ratio of COR to DM
βCD is 1∶1. After the inclusion of COR with DM
βCD, its solubility increased from 4.3 mg/mL to 10.5 mg/mL and its stability has also been improved. The results of NMR analysis indicated that COR entered from the large end of DM
βCD and formed a clathrate with it. The molecular docking method was used to study its inclusion mechanism, and the simulated docking conformation with the lowest binding energy was consistent with the results of nuclear magnetic resonance analysis.