Dissipative Particle Dynamics Simulation of Ginsenoside Ro Vesicular Solubilization Systems

Ginsenoside Ro (Ro), a natural biosurfactant derived from ginseng, has been proven to form vesicles in aqueous solutions that enhance the solubility of the insoluble compounds. With the intention of expanding the applications of Ro in the pharmaceutical industry, we here examined the influence of drug additives on the solubilization of Ro vesicles. The effects of the compatibility between each drug and the Ro molecules and of the length of the hydrophobic and hydrophilic structure of drug molecules on the solubilizing capacity and solubilization site were here studied using dissipative particle dynamics (DPD). The results showed that the simple hydrophobic drugs lacking hydrophilic groups were mainly located on the hydrophobic layer of the vesicle, and the drugs containing both hydrophobic and hydrophilic structures were located on the palisade layer. There was no single, simple relationship between solubilizing capacity and drug properties. The solubility parameters of the hydrophobic structure, molecular size, changes in hydrophobic and hydrophilic properties attributed to changes in the length of the hydrophobic and hydrophilic structures, and the solubilization site were found to affect the molar solubilization ratio (MSR) of the Ro vesicles. These results provide insight into the vesiclar solubilization system formed by saponin and may serve as guidances for the further development and application of Ro and other saponins.