Molecular simulation studies on microstructure of phospholipid nano-carrier for hydrophobic drug delivery

Hydrophobic drugs cannot be widely used in clinic because they are difficult to be absorbed by human body. To solve this problem, the existing methods to increase solubility and to prolong effect of hydrophobic drugs were analyzed first. Then a phospholipid material was introduced as the drug carrier. To verify it, dissipative particle dynamics (DPD) simulation was performed to study the phospholipid drug carrier with drug model. Aggregate morphologies of this nano drug carrier system and the internal distributions were observed, which verified the feasibility of this nano-material as novel nano drug carrier. In this way, properties of new drug carriers can be predicted prior to experiments, research and development investment of new drugs would be much reduced.