| 基于分子指纹的中药分子作用网络分析系统的研究与实现 |
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| 作者姓名： | 丁磊 于建军 付岩 许海玉 刘振明 张彦琼 杨洪军 |
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| 作者单位： | 1. 中国科学院大学, 北京 100049。;2. 中国科学院计算机网络信息中心, 北京 100190。;3. 中国科学院数学与系统科学研究院, 北京 100190。;4. 中国中医科学院中药研究所, 北京 100700。;5. 北京大学药学院, 北京 100191。 |
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| 摘 要： | 近年来,从传统中药中寻找活性成分成为研发新药的有效途径,而对中药分子作用机制的研究将显著提高筛选的准确性。本文在前期的研究基础上实现了中药成分的靶标预测、根据预测靶标构建成分-靶标网络、利用网络特征实现分子网络的筛选和分析等核心分析方法,设计了一种高效、易用的中药分子作用网络自动化分析系统。用户可以通过 web 的方式方便的获取中药成分数据,并利用本系统对所需的中药数据进行靶标预测和分子网络研究与分析。
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| 关 键 词： | 传统中药 分子指纹 靶标预测 网络分析 蛋白质相互作用 |
Researchand Implementation of a Drug-Target Network Analyze System of Chinese Medicine Based on Molecular Fingerprint |
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| Authors: | Ding Lei Yu Jianjun Fu Yan Xu Haiyu Liu Zhenming Zhang YanQiong Yang Hongjun |
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| Affiliation: | 1. University of Chinese Academy of Sciences, Beijing100049, China.;2. Computer Network Information Center, Chinese Academy of Sciences, Beijing100190, China.;3. Academy of Mathematics and Systems Science, Chinese Academy of Sciences, Beijing100190, China.;4. China Chinese Medicine Research Institute of Chinese Science, Beijing100700, China.;5. Peking University School of Pharmaceutical Sciences Department of Medicinal Chemistry, Beijing100191, China. |
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| Abstract: | In recent years, looking for active ingredients from traditional Chinese medicine (TCM) has become an effective way to develop new drugs,and the research on pharmacological mechanisms of TCM will significantly improve the accuracy of screening.This paper present a system which is implementedbased on drug-target prediction technology,protein-protein interaction network construct technology and analytic technology of thetopology characters of PPI network.It is easy to access TCM data through web as well as to analyze and process the data to investigation into the pharmacological mechanisms using the drug-target network analyze system of Chinese medicine. |
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| Keywords: | traditional Chinese medicine molecular fingerprint drug-target prediction network analyze protein-protein interaction |
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