[Study on Material Base of Panax ginseng for Treating Brain Ischemia Based on Molecular Docking].

中药材 Pub Date : 2016-06-01

Gui-zhu Deng, Chun-wei Wu, Jie-xin Lin, Chao Cheng, Shu-mei Wang

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引用次数: 0

Abstract

Objective: On the basis of molecular docking,to study the mechanism of Panax ginseng in the treatment of ischemic stroke.

Methods: The small molecules of Panax ginseng based on molecular docking technology docked with 20 key targets protein of cerebral ischemia, and multi-component protein target network was established by Cytoscape 3. 1. 1 software. At the same time,the two active molecules of the Panax ginseng of Rb2 and 20( R)-ginsenoside Rg2 were also analyzed by VEGF and Caspase-3,which were the key protein in brain ischemia.

Results: There were 31 active molecules of Panax ginseng combined strongly with five or more than five protein targets after molecular docking, and only four active molecules of Panax ginseng combined strongly with ten or more than ten protein targets. The two active molecules of Rb2 and 20( R)-ginsenoside Rg2 in the Panax ginseng had a very strong combination with VEGF and Caspase-3,respectively,and the docking scores were more than 7. 0.

Conclusion: Molecular docking technology screening active substances of Panax ginseng plays a practical significance in the treatment of ischemic stroke, which offers the foundation to study the chemical constituents of composite prescription.

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[基于分子对接的人参治疗脑缺血物质基础研究]。

目的:在分子对接的基础上，研究人参治疗缺血性脑卒中的作用机制。方法:基于分子对接技术，将人参小分子与20个脑缺血关键靶蛋白对接，利用Cytoscape 3构建多组分蛋白靶网络。1. 1软件。同时用VEGF和脑缺血关键蛋白Caspase-3对人参中的两种活性分子Rb2和20(R)-人参皂苷Rg2进行分析。结果:分子对接后，人参有31个活性分子与5个或5个以上蛋白靶点强结合，只有4个活性分子与10个或10个以上蛋白靶点强结合。人参中的两种活性分子Rb2和20(R)-人参皂苷Rg2分别与VEGF和Caspase-3有很强的结合，对接评分均在7分以上。0.结论:分子对接技术筛选人参活性物质对缺血性脑卒中的治疗具有现实意义，为复方方剂化学成分的研究提供了基础。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

中药材

自引率

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发文量

11364

期刊介绍： "Chinese Materia Medica" magazine was founded in 1978. It is a national-level academic journal of Chinese medicine science and technology approved by the State Science and Technology Commission and the Press and Publication Administration for public distribution at home and abroad. It is sponsored by the Chinese Materia Medica Information Center of the State Food and Drug Administration and is publicly distributed at home and abroad. It mainly reports on new technologies, new methods and new achievements in the production, scientific research and business management of Chinese medicine, and serves to promote the production and scientific and technological development of Chinese medicine, improve the output and quality of Chinese medicine, improve business management, and prosper the Chinese medicine industry.