• 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>Applied Surface Science >Modulating protein behaviors on responsive surface by external electric fields: A molecular dynamics study
【24h】

Modulating protein behaviors on responsive surface by external electric fields: A molecular dynamics study

机译：通过外部电场调节响应表面上蛋白质的行为：分子动力学研究

获取原文
获取原文并翻译 | 示例
           
页面导航
  • 摘要
  • 著录项
  • 相似文献
  • 相关主题

摘要

Molecular dynamics simulations were employed to investigate the modulation of protein behaviors on the electrically responsive zwitterionic phosphorylcholine self-assembled monolayers (PC-SAMs). Results show that PC-SAMs could sensitively respond to the applied electric fields and exhibit three states with different charge distributions, namely both the negatively charged phosphate groups and the positively charged choline groups are exposed to the solution in the absence of electric fields (state 1), phosphate groups exposed in the presence of positive electric fields (state 2), and choline groups exposed in the presence of negative electric fields (state 3). Under state 1, the adsorption of Cyt c on the PC-SAM is reversible and the orientations of Cyt c are randomly distributed. Under state 2, the adsorption of Cyt c is enhanced due to the electrostatic attractions between the exposed phosphate groups and the positively charged protein; when adsorbed on the PC-SAMs, Cyt c tends to adopt the orientation with the heme plane perpendicular to the surface plane, and the percentage of this orientation increases as the field strength rises up. Under state 3, the adsorption of Cyt c is retarded because of the electrostatic repulsions between the exposed choline groups and the protein; however, if the gaps between PC chains are large enough, Cyt c could insert into the PC-SAM and access the phosphate groups after overcoming a slight energy barrier. Under three states, the basic backbone structures of Cyt c are well kept within the simulation time since the conformation of Cyt c is mainly affected by the surface-generated electric fields, whose strengths are modulated by the external electric fields and are not strong enough to deform protein. The results indicate the possibility of regulating protein behaviors, including promoting or retarding protein adsorption and regulating protein orientations, on responsive surfaces by applying electric fields on the surfaces without worrying protein deformation, which may be helpful in the applications of protein separation and controlled drug delivery.
机译：分子动力学模拟用于研究电响应性两性离子磷酸胆碱自组装单层（PC-SAMs）上蛋白质行为的调节。结果表明，PC-SAMs可以敏感地响应施加的电场，并表现出三种具有不同电荷分布的状态，即带负电的磷酸基团和带正电的胆碱基团都在无电场的情况下暴露于溶液中（状态1 ），在正电场（状态2）下暴露的磷酸基团和在负电场（状态3）下暴露的胆碱基团。在状态1下，Cyt c在PC-SAM上的吸附是可逆的，并且Cyt c的方向是随机分布的。在状态2下，由于暴露的磷酸基团与带正电的蛋白质之间的静电吸引，增强了Cyt c的吸附。当吸附在PC-SAM上时，Cyt c倾向于采用血红素平面垂直于表面平面的取向，并且随着场强的增加，该取向的百分比增加。在状态3下，由于暴露的胆碱基团和蛋白质之间的静电排斥，Cyt c的吸附被延迟。但是，如果PC链之间的间隙足够大，则Cyt c可以克服轻微的能垒，插入PC-SAM中并进入磷酸基团。在三种状态下，Cyt c的基本骨架结构在仿真时间内得到了很好的保留，因为Cyt c的构型主要受表面产生的电场影响，其强度受外部电场调节，强度不足以使其使蛋白质变形。结果表明，通过在表面上施加电场而无需担心蛋白质变形，可以调节响应表面上的蛋白质行为，包括促进或延迟蛋白质的吸附和调节蛋白质的方向，这可能有助于蛋白质分离和控制药物输送的应用。

著录项

  • 来源
    《Applied Surface Science》 |2015年第30期|55-65|共11页
  • 作者

    Yun Xie; Yufang Pan; Rong Zhang; Ying Liang; Zhanchao Li;

  • 作者单位

    School of Chemistry and Chemical Engineering, Guangdong Pharmaceutical University, Guangzhou 510006, PR China;

    School of Chemistry and Chemical Engineering, Guangdong Pharmaceutical University, Guangzhou 510006, PR China;

    School of Chemistry and Chemical Engineering, Guangdong Pharmaceutical University, Guangzhou 510006, PR China;

    School of Chemistry and Chemical Engineering, Guangdong Pharmaceutical University, Guangzhou 510006, PR China;

    School of Chemistry and Chemical Engineering, Guangdong Pharmaceutical University, Guangzhou 510006, PR China;

  • 收录信息
  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类
  • 关键词

    Molecular dynamics; Responsive surface; Electric field; Protein adsorption; Desorption; Orientation;

    机译：分子动力学;响应面电场;蛋白质吸附;解吸取向;

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