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The self-assembly of polyprodrug amphiphile is broadening impact due to the controlled high drug loading content, among others. Here, dissipative particle dynamics simulation is used to study the phase behaviour of the reduction-responsive polyprodrug amphiphile with an alternating copolymer topology and the drug release from the self-assembled micelles under a stimulus. When the polymerisation degree (PD) of the hydrophobic block is fixed, the PD of the hydrophilic block and the overall PD of the amphiphile need being controlled for the amphiphile to form spherical micelles desired for drug delivery. The micelles do not have core–shell structures. The drug hydrophobicity and its compatibility with the hydrophilic block affects the self-assembly and need being carefully considered for spherical micelle formation. In designing the amphiphile, the incompatibility between the drug and the hydrophilic block needs being considered first, followed by selecting both the PD of the hydrophilic block and overall PD of the amphiphile. In the presence of a chemical stimulus, the drug is released as an individual moiety; while released in an aggregate form when an imaginary physical stimulus is present. This work can guide the design of a stimulus-responsive polyprodrug amphiphile with an alternating copolymer topology for drug delivery.

Dissipative particle dynamics simulation on phase behaviour of reduction-responsive polyprodrug amphiphile