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| How to control the release of drugs is the precondition of the effectiveness of pH-sensitive micelles. Generally, the property of the polymers and the distribution of drugs in micelles can notably influence the drug release from micelles. On the other hand, the drug distribution inside micelles depends on the compatibilities between drugs and polymers. In this work, the dissipative particle dynamics simulation method is used to study the structural transformation of micelles during the protonation process and the drug release process from micelles with different drug distributions firstly. On this basis, the effect of polymer structures, including different lengths of hydrophilic, pH-sensitive and hydrophobic blocks, on drug release are also studied. In the end, several corresponding design principles of pH-sensitive polymers for drug delivery are proposed according to the simulation results. This work is in favor of understanding the drug release mechanism of pH-sensitive micelles, and is of great significance to the development of new multiblock pH-sensitive polymeric micelles. |
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| Keywords:dissipative particle dynamics simulation; pH-sensitive polymer; compatibility; drug release; drug diffusion |
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