分子动力学模拟:神经元钙传感蛋白生理机制研究的新方向

发布时间：2018-03-08 12:06

本文选题：分子动力学模拟　切入点：多巴胺　出处：《中国组织工程研究》2017年20期 　论文类型：期刊论文

【摘要】：背景:神经元钙传感蛋白的生理功能及其发挥、结构折叠与解折叠的研究多采用实验方法进行研究,并提出蛋白可能的作用机制模型及维持结构稳定的可能因素,但实验手段受到时间和空间分辨的局限以及蛋白结构的复杂性,研究受到一定的限制,导致实验中提出的很多理论模型无法得以检验。分子动力学能够从原子水平上观察并解释实验现象,对理论假设和(或)模型进行验证,为实验提供参考和启示;也可以预测新的结构和现象,为建立理论模型和作用机制提供依据。目的:分别对采用实验方法和分子动力学模拟的方法对神经元钙传感蛋白生理功能及其机制研究的进展进行梳理,并对今后的研究做一展望。方法:以"Neuronal Calcium Sensor-1 or Neuronal Calcium Sensor1 or Neuronal Calcium Sensor 1 or NCS-1"为主题词,检索Pub Med数据库中有关神经元钙传感蛋白研究的相关文献,下载全文进行阅读,排除与蛋白生理机制无关的文章,最终对72篇文献进行归纳总结。结果与结论:(1)实验中主要对神经元钙传感蛋白在不同条件、不同位置中调控分泌、调控多巴胺D2受体、在肝细胞内调控腺苷A2A受体以及调控不同刺激下心肌细胞质和细胞核Ca~(2+)等方面提出相关理论模型;(2)分子动力学模拟从结构的视角,对维持蛋白结构稳定的关键因素进行了分析和总结;(3)建议将两种方法结合起来,不断加深对蛋白生理机制的理解,共同推动研究的深入发展。
[Abstract]:Background: the physiological function of neuronal calcium sensing protein and its exertion, structural folding and unfolding are studied by experimental methods, and the possible mechanism model of protein and the possible factors to maintain structural stability are proposed. However, due to the limitation of time and space resolution and the complexity of protein structure, the research is limited to a certain extent. As a result, many of the theoretical models proposed in the experiment can not be tested. Molecular dynamics can observe and explain the experimental phenomena from the atomic level, verify the theoretical hypothesis and / or model, and provide reference and inspiration for the experiment. New structures and phenomena can also be predicted, Objective: to study the physiological function and mechanism of calcium sensing protein in neurons by means of experimental and molecular dynamics simulation. Methods: using "Neuronal Calcium Sensor-1 or Neuronal Calcium Sensor1 or Neuronal Calcium Sensor1 or NCS-1" as the subject word, we searched the related literature on neuronal calcium sensing protein in Pub Med database and downloaded the full text for reading. Results and conclusion in the experiment, calcium sensing protein of neurons regulated secretion, dopamine D2 receptor and dopamine D2 receptor in different conditions and different positions. In the aspects of regulation of adenosine A2A receptor in hepatocytes and regulation of myocardial cytoplasm and nuclear Ca~(2 under different stimuli, a new molecular dynamics model was proposed, I. e., molecular dynamics simulation from a structural perspective. The key factors to maintain the stability of protein structure were analyzed and summarized. It was suggested that the two methods should be combined to deepen the understanding of the physiological mechanism of protein and to promote the further development of the research.
【作者单位】：上海师范大学体育学院;上海体育学院;
【基金】：上海体育学院研究生教育创新科研项目资助(yjscx2015003)~~
【分类号】：R338

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