Mesoscopic simulation studies on the aggregation behaviour of glycyrrhizin micelles for drug solubilisation
Yuguang Wang1, Xingxing Dai2, Xinyuan Shi2, Yanjiang Qiao2
1Third Affiliated Hospital of Beijing University of Chinese Medicine, Beijing (China)
2Beijing University of Chinese Medicine, Beijing (China)
Glycyrrhizin is a kind of natural surfactant with the micelle structure for drug solubilization and low toxicity in the human body. In this study, dissipative particle dynamics (DPD) and mesoscopic dynamics (MesoDyn) were carried out to elaborate the aggregation behaviour of glycyrrhizin micelles. Baicalin were selected as the poorly water-soluble drugs. It has been observed from DPD that glycyrrhizin molecules formed core/shell structured spherical, cylindrical and lamellar aggregates with the increase of concentration. Baicalin molecules are solubilized in the hydrophobic core. Glycyrrhizin molecules were easier to form micelles with the addition of drugs. Mesoscopic simulations based on experimental data provided more detailed information for the investigation of solubilization.