药学学报, 2019, 54(11): 2074-2082
引用本文:
胡晓茹, 郑海荣, 党海霞, 胡秦, 康帅, 戴忠, 马双成. 基于网络药理学的红花注射液用红花药材质量控制方法研究[J]. 药学学报, 2019, 54(11): 2074-2082.
HU Xiao-ru, ZHENG Hai-rong, DANG Hai-xia, HU Qin, KANG Shuai, DAI Zhong, MA Shuang-cheng. Pharmacological network-based study on quality control of Carthamus tinctorius L. for safflower injection[J]. Acta Pharmaceutica Sinica, 2019, 54(11): 2074-2082.

基于网络药理学的红花注射液用红花药材质量控制方法研究
胡晓茹1, 郑海荣2, 党海霞3, 胡秦2, 康帅1, 戴忠1, 马双成1
1. 中国食品药品检定研究院, 北京 100050;
2. 北京工业大学, 北京 100124;
3. 中国中医科学院中医药发展研究中心,北京 100700
摘要:
建立的红花“化学成分-靶点-疾病”网络,进行拓扑学分析得到网络中与脉管炎、冠心病和脑血管疾病相关的核心成分,基于此建立红花注射液用红花药材的质量控制方法。首先经TCMID和TCMSP数据库检索得到红花中132个化合物,利用PharmMapp和ChemMapper数据库对上述成分的靶点进行预测,利用CardioGenBase、Therapeutic Target Database、DisGeNET数据库收集脉管炎、冠心病和脑血管疾病冠心病相关靶点,经过映射对接,建立“化学成分-靶点”对应关系;然后,利用Cytoscape软件构建“药效成分-靶点-疾病”网络模型,借助Cytohubba插件进行核心网络筛选和关键节点分析,自由度排名靠前的24个关键化学成分为α-生育酚、腺苷,以及羟基红花黄色素A、saffloryellow等醌式查耳酮色素类,槲皮素、山柰酚等黄酮类,硬脂酸、亚麻酸、4-香豆酸和肉桂酸等有机酸,佛手柑内酯等香豆精类成分等。在上述核心成分的基础上,结合指纹图谱可同时对多成分进行控制的特点,建立注射用红花药材的指纹图谱,并对样品进行测定。所建立的指纹图谱可以反映出腺苷、羟基红花黄色素A、Saffloryellow、4-香豆酸等成分,通过对所收集到的红花药材进行分析,结果上述成分在药材中的含量均一性良好。本方法基于网络药理学的研究方法,从药材化学成分和疾病出发构建药材“化学成分-靶点-疾病”网络,通过拓扑学分析方法获取核心化学成分并作为质控指标,并基于此开展中药质量控制方法的研究,为中药药材的质控指标研究提供了新的研究思路。
关键词:    网络药理学      红花      指纹图谱      质量控制     
Pharmacological network-based study on quality control of Carthamus tinctorius L. for safflower injection
HU Xiao-ru1, ZHENG Hai-rong2, DANG Hai-xia3, HU Qin2, KANG Shuai1, DAI Zhong1, MA Shuang-cheng1
1. National Institutes for Food and Drug Control, Beijing 100050, China;
2. Beijing University of Technology, Beijing 100124, China;
3. Research Center of Traditional Chinese Medicine, China Academy of Chinese Medical Sciences, Beijing 100700, China
Abstract:
We determined a component-target-disease network for Carthamus tinctorius L. and the key compounds, identified by topological analysis, were related to vasculitis, coronary heart and cerebrovascular disease. Based on these compounds, the chromatographic fingerprint of Carthamus tinctorius L. was established. Firstly, 132 compounds were obtained from TCMID and TCMSP databases. Their targets were predicted in the PharmMapp and HemMapper databases. CardioGenBase, Therapeutic Target Database and DisGeNET databases were used to collect targets of vasculitis, coronary heart disease and cerebrovascular disease. The corresponding relationships between component and target protein were established by mapping. Finally, the "component-target-disease" network was built with Cytoscape software. The core network and key nodes were analyzed with the Cytohubba plug-in. The results showed that the 24 key compounds were alpha-tocopherol, adenosine, quinone chalcone pigments such as hydroxysafflor yellow A, safflower yellow, quercetin, kaempferol and other flavonoids, organic acids such as stearic acid, linolenic acid, coumaric acid and cinnamic acid. This resulting chromatographic fingerprint of Carthamus tinctorius L. showed good consistency, and the core chemical compounds obtained by topological analysis of the network of "component-target-disease", could be used as quality control markers. Our research provides a new approach for the identification of quality control indicators in Chinese medicinal materials.
Key words:    network pharmacological    Carthamus tinctorius L.    fingerprint    quality control   
收稿日期: 2019-06-01
DOI: 10.16438/j.0513-4870.2019-0432
基金项目: 国家中药标准化项目(ZYBZH-C-JIN-44).
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