The self-assembled structures and drug loading/release behaviors of KLA antimicrobial peptide and doxorubicin loaded by zwitterionic poly(carboxybetaine methacrylate)(PCBMA)or poly(ethylene glycol methacrylate)(PEGMA)modified poly(L-lysine-grafted-2,3-dimethylmaleic anhydride)-poly(lactic acid)copolymers PCBMA/PEGMA-PLL(-g-DMA)-PLA were investigated by dissipative particle dynamics simulations.The effects of copolymer block ratio,copolymer concentration,loading concentration and ionic strength on the micelle self-assembly were investigated.The results show that compared with the PEGMA system,when the block ratio changes,the PCBMA system always has good micelle structure stability and can form spherical micelles in a wider block ratio range.Moreover,at varying copolymer concentrations,the PCBMA system demonstrates a wider range for forming spherical micelles compared with the PEGMA system.With the increase in drug loading concentration,drugs in the PCBMA system exhibited a uniform spherical distribution,while drugs in the PEGMA system displayed an eccentric distribution when the drug concentration exceeded 3％.With the increase of ionic strength,the formation of spherical micelle structure of PCBMA system is accelerated,while PEGMA system cannot maintain the spherical micelle structure.Under the acidic pH condition,the drug release process of PCBMA system conforms to the mechanism of"dilatation-demicellation-release",and the drug is evenly released into the aqueous solution;while the drug release behavior of PEGMA system is too fast and uneven.This study provides a reference for exploring the dual drug loading/drug release of antimicrobial peptides and anticancer drugs at the mesoscale,and has certain significance for guiding and optimizing the development of drug delivery materials.
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