...
  • 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>ACS applied materials & interfaces >Aggregated Single-Walled Carbon Nanotubes Absorb and Deform Dopamine-Related Proteins Based on Molecular Dynamics Simulations
【24h】

Aggregated Single-Walled Carbon Nanotubes Absorb and Deform Dopamine-Related Proteins Based on Molecular Dynamics Simulations

机译：聚集的单壁碳纳米管基于分子动力学模拟吸收和变形多巴胺相关蛋白质

获取原文
获取原文并翻译 | 示例
   

获取外文期刊封面封底 >>

       
页面导航
  • 摘要
  • 著录项
  • 相似文献
  • 相关主题

摘要

Single-walled carbon nanotubes (SWCNTs) have attracted considerable attention owing to their applications in various fields such as biotechnology and biomedicine. Recently, aggregated SWCNTs have shown more significant effects on the treatment of methamphetamine addiction (Nat. Nanotech. 2016, 11, 613). However, the mechanisms underlying these actions are unclear. By using all atom molecular dynamics simulations, we investigate the effects of single and aggregated SWCNTs (single-(10,10)CNT, aggregated-7-(10,10)CNTs, and single(35,35)CNT with the same diameter as that of the aggregated one) on the activity of dopamine-related proteins [tyrosine hydroxylase (TyrOH) and dopamine transporter (DAT), which are related to the synthesis and transport of dopamine, respectively]. We find that both TyrOH and DAT can adsorb onto these SWCNTs. For TyrOH, the aggregated-7-(10,10)CNTs mainly affect the conformation of the active site of the protein, and hence, they are more effective in inhibiting the expression of TyrOH. For DAT, our results suggest that the aggregated-7(10,10)CNTs allow DAT to maintain an outward-facing conformation and hence are favorable to the reuptake of dopamine. The binding of a dopamine reuptake inhibitor, [H-3]-W1N35,428, to DAT is significantly disrupted by aggregated-7-(10,10)CNTs and hence improve the ability to transport dopamine. Our results provide the dynamic interactions of proteins with single/aggregated SWCNTs, which illustrate the mechanism of aggregated SWCNTs for the treatment of drug addiction.
机译：由于它们在生物技术和生物医学等各个领域，单壁碳纳米管（SWCNTS）引起了相当大的关注。最近，聚合的SWCNT对甲基苯丙胺成瘾的治疗（NAT.NANOTECH。2016,11,613）表示更大的影响。然而，这些行动的基础尚不清楚。通过使用所有原子分子动力学模拟，我们研究了单一和聚集的SWCNT（单（10,10）CNT，聚合-7-（10,10）CNT的影响，以及具有相同直径的单个（35,35）CNT作为聚集体的聚集在一起的多巴胺相关蛋白[酪氨酸羟化酶（TyroH）和多巴胺转运蛋白（DAT）的活性，它们分别与多巴胺的合成和运输有关。我们发现TyroH和DAT都可以吸收到这些SWCNT上。对于TyroH，聚集-7-（10,10）CNT主要影响蛋白质的活性位点的构象，因此，它们在抑制TyroH的表达方面更有效。对于DAT，我们的结果表明聚集-7（10,10）CNT允许DAT保持外观的构象，因此有利于多巴胺的再缓解。多巴胺再摄取抑制剂[H-3] -W1N35,428的结合通过聚集-7-（10,10）CNTs显着破坏，因此提高了运输多巴胺的能力。我们的结果提供了用单/聚集的SWCNTS的蛋白质的动态相互作用，其说明了用于治疗药物成瘾的聚集SWCNT的机制。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱：kefu@zhangqiaokeyan.com

京公网安备：11010802029741号 ICP备案号：京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有

  • 客服微信

  • 服务号