期刊
MACROMOLECULAR THEORY AND SIMULATIONS
卷 27, 期 2, 页码 -出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/mats.201700070
关键词
coarse graining; dendrimer; dissipative particle dynamics; DNA condensation; gene delivery
资金
- National Natural Science Foundation of China [21776093, 91334202, 21376089, 21506066]
- Guangdong Science Foundation [2014A030312007]
- National Key Basic Research Program of China [2013CB733500]
- Fundamental Research Funds for the Central Universities [SCUT-2015ZP033, SCUT-2017ZD069]
In this study, dissipative particle dynamics is employed to investigate the complexation of poly(amido amine) dendrimer and single-stranded DNA (ssDNA). A coarse-grained model for ssDNA is constructed, which reproduces correctly the conformational behavior of the ssDNA molecules. The effects of pH, dendrimer generation, ionic strength, and dendrimer/ssDNA charge ratio on DNA-dendrimer complexes are explored. Simulation results show that ssDNA molecules can be significantly condensed by dendrimers and stable complexes are obtained by regulating the pH value. The ssDNA chain penetration would complicate its release from dendrimer, while this can be tuned by different generations of dendrimer. Salt concentration affects the size and stability of the complexes through ion screening effect. Dendrimer/ssDNA charge ratio can be used to control the size and morphology of the complex. This work can help design dendrimer-based gene vectors.
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