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题名: Multidrug resistance protein P-glycoprotein does not recognize nanoparticle C-60: experiment and modeling
作者: Xu, Xue1;  Li, Ruibin2;  Ma, Ming1;  Wang, Xia1;  Wang, Yonghua1;  Zou, Hanfa2
刊名: SOFT MATTER
发表日期: 2012
DOI: 10.1039/c2sm06811g
卷: 8, 期:10, 页:2915-2923
收录类别: SCI
文章类型: Article
类目[WOS]: Chemistry, Physical ;  Materials Science, Multidisciplinary ;  Physics, Multidisciplinary ;  Polymer Science
研究领域[WOS]: Chemistry ;  Materials Science ;  Physics ;  Polymer Science
英文摘要: Organisms have evolved stress-inducible defense responses such as the P-glycoprotein (P-gp)-mediated efflux system to maintain chemical homeostasis in cells for both endogenous and xenobiotic compounds. However, despite the extensive focus on the potential interactions of P-gp with small molecules, the effect of nanoparticles on this transporter is scarcely reported. Thus in this work, in vitro experiments combined with molecular dynamics (MD) simulations were carried out to investigate the interactions of the multidrug resistance (MDR) protein P-gp with fullerene (C-60), one of the most important nano-drug carriers. Upon exposure to fluorescence-labeled C-60 (0-70 mu g mL(-1)) for 2 h, significant accumulation of C-60 is found in both the K562S and K562R cells, suggesting the incapability of P-gp to induce the efflux of this nanoparticle. In addition, in vitro inhibition assays also reveal that C-60 does not obviously hinder P-gp-mediated rhodamine-123 transport in both K562S and K562R cells. The theoretical simulations further reveal the mechanism involved in C-60-P-gp interactions, i.e., the binding of C-60 barely induces the conformational changes of P-gp with RMSD of similar to 4.8 angstrom and radius of gyration of similar to 41.5 angstrom, and also no theoretical evidence shows that the C-60 acts as a substrate or inhibitor of P-glycoprotein. These results demonstrate the potential of C-60 as a good carrier candidate for MDR-targeted drug delivery, since organisms probably have not evolved to recognize this nanoparticle.
关键词[WOS]: MOLECULAR-DYNAMICS ;  DRUG-INTERACTIONS ;  ABC TRANSPORTER ;  BINDING DOMAIN ;  RHODAMINE-123 ;  FULLERENES ;  EXPRESSION ;  CANCER ;  GENE ;  DOXORUBICIN
语种: 英语
WOS记录号: WOS:000300318500017
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/142867
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.NW A&F Univ, Coll Life Sci, Yangling 712100, Shaanxi, Peoples R China
2.Chinese Acad Sci, Dalian Inst Chem Phys, Natl Chromatog R&A Ctr, CAS Key Lab Separat Sci Analyt Chem, Dalian 116023, Peoples R China

Recommended Citation:
Xu, Xue,Li, Ruibin,Ma, Ming,et al. Multidrug resistance protein P-glycoprotein does not recognize nanoparticle C-60: experiment and modeling[J]. SOFT MATTER,2012,8(10):2915-2923.
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