| 基于PubChem数据库的天然产物快速寻靶方法 |
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| 引用本文： | 刘海波,彭勇,黄璐琦,肖培根. 基于PubChem数据库的天然产物快速寻靶方法[J]. 中草药, 2012, 43(11): 2099-2105 |
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| 作者姓名： | 刘海波 彭勇 黄璐琦 肖培根 |
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| 作者单位： | 1. 中国医学科学院药用植物研究所,北京,100193
2. 中国中医科学院中药研究所,北京,100700 |
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| 基金项目： | 国家自然科学基金面上项目“罂粟科白屈菜族植物生物活性和毒性研究”(81072995) |
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| 摘 要： | 提出了一种利用PubChem数据库的数据资源,为天然产物寻找可能靶点的方法.以山莨菪碱为例进行了演示,发现了山莨菪碱35个潜在的作用靶标,这些靶标解释了山莨菪碱已知的各种药理活性,并给出了具有指导意义的新信息.该寻靶方法快速、便捷、经济,不需要高性能计算支持,结果相对准确,是一种适合中药化学和植物化学领域的研究人员使用的天然产物生物活性预测和寻靶方法.
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| 关 键 词： | 天然产物 PubChem数据库 药物寻靶法 山莨菪碱 作用靶标 |
| 收稿时间： | 2012-01-22 |
A rapid targeting method of natural products based on PubChem database |
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| LIU Hai-bo,PENG Yong,HUANG Lu-qi and XIAO Pei-gen. A rapid targeting method of natural products based on PubChem database[J]. Chinese Traditional and Herbal Drugs, 2012, 43(11): 2099-2105 |
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| Authors: | LIU Hai-bo PENG Yong HUANG Lu-qi XIAO Pei-gen |
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| Affiliation: | 1.Institute of Medicinal Plant Development,Chinese Academy of Medical Sciences,Beijing 100193,China 2.Institute of Chinese Materia Medica,China Academy of Chinese Medical Sciences,Beijing 100700,China |
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| Abstract: | To provide a new targeting method of natural products based on PubChem database with anisodamine as an example. Totally 35 potential targets, which give the explanation for the pharmacological activities of anisodamine, are found. Moreover, some new guided information is indicated. The targeting method is rapid, convenient, and free, and could provide a relatively accurate result without the support of high-performance computing. This method is easy to conduct for the researchers in chemistry of Chinese materia medica (CMM) and phytochemistry topredict the pharmacological activities of natural productsand their acted targets, therefore it is a very promising method in CMM research. |
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| Keywords: | natural products PubChem database targeting method anisodamine acted targets |
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