LARGE SCALE MD SIMULATIONS OF ANESTHETIC EFFECTS ON ION CHANNELS

离子通道麻醉效果的大规模 MD 模拟

基本信息

  • 批准号:
    8171827
  • 负责人:
  • 金额:
    $ 0.15万
  • 依托单位:
  • 依托单位国家:
    美国
  • 项目类别:
  • 财政年份:
    2010
  • 资助国家:
    美国
  • 起止时间:
    2010-08-01 至 2013-07-31
  • 项目状态:
    已结题

项目摘要

This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. The subproject and investigator (PI) may have received primary funding from another NIH source, and thus could be represented in other CRISP entries. The institution listed is for the Center, which is not necessarily the institution for the investigator. The ultimate goal of our study is to understand the molecular mechanisms of general anesthesia. The immediate objective of our computational efforts is to elicit the molecular details of protein motions that are difficult to observe directly with experimental methods but potentially crucial to the understanding of anesthetic actions on the channel proteins. We will focus on GLIC whose channel function can be inhibited by general anesthetics. The specific aims for the study include (1) to perform a 100-ns or even longer MD simulation in a fully hydrated membrane patch in the absence of anesthetics (a control system); (2) to conduct parallel MD simulations in the presence of two clinically used anesthetics (propofol and etomidate); (3) to calculate PMFs of Na+ across the channel based on the structures generated in Aim 1 and 2. Hypotheses for the study: anesthetic interaction with the actuation points at the EC-TM interface and residues inside the channel will introduce significant changes in the structure and dynamics of GLIC. The anesthetic effects will be encoded as global changes at tertiary and quaternary structural level after extended MD simulations. The PMF calculations on these simulated structures in the absence and presence of anesthetics will offer valuable insights into how anesthetics mediate the function of GLIC channel. The knowledge acquired from the proposed study will be transferable for understanding anesthetic actions on other homologous channel proteins in the central nervous system.
这个子项目是众多研究子项目之一

项目成果

期刊论文数量(0)
专著数量(0)
科研奖励数量(0)
会议论文数量(0)
专利数量(0)

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PEI TANG其他文献

PEI TANG的其他文献

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{{ truncateString('PEI TANG', 18)}}的其他基金

New Glycinergic Modulators as Potent Painkillers without Negative Psychoactive Effects - Supplement
新型甘氨酸调节剂作为有效的止痛药,没有负面的精神影响 - 补充
  • 批准号:
    10054996
  • 财政年份:
    2019
  • 资助金额:
    $ 0.15万
  • 项目类别:
Alpha7 Nicotinic Receptor: Structures and Coupling with Intracellular Proteins
Alpha7 烟碱受体:结构及其与细胞内蛋白质的偶联
  • 批准号:
    9915878
  • 财政年份:
    2018
  • 资助金额:
    $ 0.15万
  • 项目类别:
Alpha7 Nicotinic Receptor: Structures and Coupling with Intracellular Proteins
Alpha7 烟碱受体:结构及其与细胞内蛋白质的偶联
  • 批准号:
    10169782
  • 财政年份:
    2018
  • 资助金额:
    $ 0.15万
  • 项目类别:
Alpha7 Nicotinic Receptor: Structures and Coupling with Intracellular Proteins
Alpha7 烟碱受体:结构及其与细胞内蛋白质的偶联
  • 批准号:
    10393547
  • 财政年份:
    2018
  • 资助金额:
    $ 0.15万
  • 项目类别:
X-RAY STRUCTURES OF PENTAMERIC ION CHANNELS IN THE ABSENCE AND PRESENCE OF ANEST
不存在和存在 Anest 时五聚体离子通道的 X 射线结构
  • 批准号:
    8362296
  • 财政年份:
    2011
  • 资助金额:
    $ 0.15万
  • 项目类别:
LARGE SCALE MD SIMULATIONS OF ANESTHETIC EFFECTS ON ION CHANNELS
离子通道麻醉效果的大规模 MD 模拟
  • 批准号:
    8364249
  • 财政年份:
    2011
  • 资助金额:
    $ 0.15万
  • 项目类别:
ANESTHETIC EFFECTS ON ION CHANNEL STRUCTURES & DYNAMICS
对离子通道结构的麻醉作用
  • 批准号:
    8127591
  • 财政年份:
    2010
  • 资助金额:
    $ 0.15万
  • 项目类别:
X-RAY STRUCTURES OF PENTAMERIC ION CHANNELS IN THE ABSENCE AND PRESENCE OF ANEST
不存在和存在 Anest 时五聚体离子通道的 X 射线结构
  • 批准号:
    8170297
  • 财政年份:
    2010
  • 资助金额:
    $ 0.15万
  • 项目类别:
LARGE SCALE MD SIMULATIONS OF ANESTHETIC EFFECTS ON ION CHANNELS
离子通道麻醉效果的大规模 MD 模拟
  • 批准号:
    7956089
  • 财政年份:
    2009
  • 资助金额:
    $ 0.15万
  • 项目类别:
LARGE SCALE MD SIMULATIONS OF ANESTHETIC EFFECTS ON ION CHANNELS
离子通道麻醉效果的大规模 MD 模拟
  • 批准号:
    7723136
  • 财政年份:
    2008
  • 资助金额:
    $ 0.15万
  • 项目类别:
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