胶束对疏水性药物的增溶作用与药物和载体材料的相容性密切相关,本文通过热力学方法判断二者的相容性。以布洛芬作为模型药物,采用Materials Studio模拟软件计算一系列疏水链段与布洛芬的混合能Emix及混合自由能ΔGmix,筛选适合布洛芬的胶束疏水链段。结果显示布洛芬与聚丙烯、聚氧丙烯等疏水链段的混合自由能为正值,与聚乳酸/乙醇酸的的混合自由能为负值,根据混合自由能原理,文中所选的嵌段共聚物胶束的疏水链段中,聚乳酸/乙醇酸与布洛芬的相容性最好。
Solubilization of micelles to hydrophobic drugs is closely related to the compatibility between drugs and carrier materials.Their compatibility is determined by the thermodynamic method in this study.Ibuprofen was chose as the model drug.The mixed energy（Emix） and free energy of mixing（ΔGmix） between ibuprofen and different hydrophobic chains were calculated by the materials studio software,respectively.The results showed that the（Gmix between ibuprofen and polylactic acid/glycolic acid was negative,while others were positive.According to the theory of free energy of mixing,the compatibility between polylactic acid/glycolic acid and ibuprofen is the best among all the hydrophobic chains of block polymer micelles studied in this paper.
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