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Drug-loaded pH-responsive polymeric micelles: Simulations and experiments of micelle formation, drug loading and drug release
Li, Qiu; Yao, Weishang; Yu, Xiang; Zhang, Baolei; Dong, Junxing; Jin, Yiguang
2017-10
Source PublicationCOLLOIDS AND SURFACES B-BIOINTERFACES
ISSN0927-7765
Volume158Pages:709-716
AbstractpH-responsive drug nanocarriers are widely applied for cancer treatment. However, the mechanistic details of drug loading and drug release from these micelles are unknown. Here, we reveal the mechanistic details of micelle formation, drug loading and drug release from pH-responsive polymeric micelles using computer simulations and experiments. A triblock amphiphilic copolymer, methoxy-poly(ethylene glycol) 2000-poly(2-(N,N-diethylamino)ethyl methacrylate)-polycaprolactone (mPEG-PDEA-PCL, PDC), was used to load paclitaxel (PTX), a hydrophobic anticancer agent, using an injection method. The micelles showed strong pH-responsive behavior, where the sizes and zeta potentials ranged from 51 nm and 19 mV at pH 4.5, respectively, to 22 nm and -5.5 mV at pH 8, respectively, with greater PTX release at pH 6.5 than that at pH 7.4. Furthermore, the PTX-loaded PDC micelles showed higher cytotoxicity to MCF-7 cells at pH 6.5 than that at pH 7.4 due to differential drug release. Molecular dynamics and the coarse-grained dissipative particle dynamic method were used to mimic micelle formation, drug loading and drug release. The pH-responsive segment, PDEA, transforms to its protonated form, PDEAH(+), in an acidic environment. PTX and PDC form micelles based on hydrophobic interactions, where PTX inserts into the hydrophobic PDEA-PCL core in a neutral environment. An acidic transition of the environment leads to rapid PTX release from the micelles due to the hydrophobic-hydrophilic transition of PDEA to PDEAlr, though some PTX molecules still remain in the PCL core. The pH-responsive PDC micelles are suitable for triggered drug release in an acidic tumor microenvironment. The PDC micelle is, therefore, a promising nanocarrier of anticancer agents for cancer treatment. (C) 2017 Elsevier B.V. All rights reserved.
KeywordBlock copolymer Computer simulation pH-responsive Polymeric micelles Paclitaxel Molecular dynamics Coarse grain Dissipative particle dynamics
DOI10.1016/j.colsurfb.2017.07.063
URLView the original
Indexed BySCI
Language英语
WOS Research AreaBiophysics ; Chemistry ; Materials Science
WOS SubjectBiophysics ; Chemistry, Physical ; Materials Science, Biomaterials
WOS IDWOS:000414108600082
PublisherELSEVIER SCIENCE BV
The Source to ArticleWOS
Fulltext Access
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Cited Times [WOS]:13   [WOS Record]     [Related Records in WOS]
Document TypeJournal article
CollectionUniversity of Macau
Recommended Citation
GB/T 7714
Li, Qiu,Yao, Weishang,Yu, Xiang,et al. Drug-loaded pH-responsive polymeric micelles: Simulations and experiments of micelle formation, drug loading and drug release[J]. COLLOIDS AND SURFACES B-BIOINTERFACES,2017,158:709-716.
APA Li, Qiu,Yao, Weishang,Yu, Xiang,Zhang, Baolei,Dong, Junxing,&Jin, Yiguang.(2017).Drug-loaded pH-responsive polymeric micelles: Simulations and experiments of micelle formation, drug loading and drug release.COLLOIDS AND SURFACES B-BIOINTERFACES,158,709-716.
MLA Li, Qiu,et al."Drug-loaded pH-responsive polymeric micelles: Simulations and experiments of micelle formation, drug loading and drug release".COLLOIDS AND SURFACES B-BIOINTERFACES 158(2017):709-716.
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