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首页> 外文期刊>Macromolecular theory and simulations >Relevance of the Polymeric Prodrug and Its Drug Loading Efficiency: Comparison between Computer Simulation and Experiment
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Relevance of the Polymeric Prodrug and Its Drug Loading Efficiency: Comparison between Computer Simulation and Experiment

机译：聚合物前药的相关性及其药物负荷效率：计算机仿真与实验的比较

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摘要

In order to explore the relationship between drug grafting ratio of polymeric prodrug and its drug loading efficiency, molecular dynamics simulation is utilized to calculate the compatibility of polymeric prodrug with 5-aminolevulinic acid methyl ester (m-ALA) and H2O first. Then, dissipative particle dynamics simulation is used to observe the morphologies of drug-loaded micelles. Then, designed polymeric prodrugs are synthesized, drug-loaded micelles and blank micelles are prepared by dialysis method, and the drug loading content (DLC) and encapsulation efficiency are measured. The computer simulation shows that polymer-drug compatibility gets better as the m-ALA grafting ratio increases from 0% to 100%. Experimental results show that the DLC of micelle changes from 4.05% (0% grafting ratio) to 8.99% (100% grafting ratio). Through comparison, the experimental results are proven to be consistent with the computer simulation results, revealing that the drug loading efficiency of polymer micelles could be improved by grafting drugs.
机译：为了探讨聚合物前药的药物接枝比与其药物负载效率之间的关系，利用分子动力学模拟来计算聚合物前药用5-氨基乙酰丙烯酸甲酯（M-ALA）和H2O的相容性。然后，使用耗散粒子动力学模拟来观察药物胶束的形态。然后，合成设计的聚合物前药，通过透析方法制备药物负载胶束和坯料胶束，并测量药物负载含量（DLC）和封装效率。计算机模拟表明，随着M-ALA接枝比从0％增加至100％，聚合物 - 药物相容性会更好。实验结果表明，胶束的DLC从4.05％（0％接枝比）变化至8.99％（100％接枝比）。通过比较，证明实验结果与计算机仿真结果一致，揭示了聚合物胶束的药物负载效率可以通过移植药物改善。

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