沈霞, 徐蓉蓉, 裴丽珊, 谭从娥, 许浚, 顔永刚. 基于网络药理学连翘清热解毒功效的分子机制研究J. 药学学报, 2018,53(11): 1834-1842. doi: 10.16438/j.0513-4870.2018-0577
引用本文: 沈霞, 徐蓉蓉, 裴丽珊, 谭从娥, 许浚, 顔永刚. 基于网络药理学连翘清热解毒功效的分子机制研究J. 药学学报, 2018,53(11): 1834-1842. doi: 10.16438/j.0513-4870.2018-0577
SHEN Xia, XU Rong-rong, PEI Li-shan, TAN Cong'e, XU Jun, YAN Yong-gang. Molecular mechanism of heat-clearing and detoxifying efficacy of Forsythia suspensa based on network pharmacologyJ. Acta Pharmaceutica Sinica, 2018,53(11): 1834-1842. doi: 10.16438/j.0513-4870.2018-0577
Citation: SHEN Xia, XU Rong-rong, PEI Li-shan, TAN Cong'e, XU Jun, YAN Yong-gang. Molecular mechanism of heat-clearing and detoxifying efficacy of Forsythia suspensa based on network pharmacologyJ. Acta Pharmaceutica Sinica, 2018,53(11): 1834-1842. doi: 10.16438/j.0513-4870.2018-0577

基于网络药理学连翘清热解毒功效的分子机制研究

Molecular mechanism of heat-clearing and detoxifying efficacy of Forsythia suspensa based on network pharmacology

  • 摘要: 连翘为清热解毒的要药,临床使用十分广泛,然而其清热解毒功效的分子机制尚不明确。本研究基于网络药理学的理论和方法,以连翘清热解毒功效与炎症之间的关系为切入点展开研究。收集整理得到连翘中化合物共114种,通过对生物利用度(OB)、类药性(DL)的分析得到有效化合物15种。继而运用反向药效团方法搜集对应靶点26种。运用BioGPS数据库对靶点进行器官定位初步揭示连翘归心经和肺经的物质基础;用Cytoscape软件构建连翘的成分-靶点-疾病网络模型,初步揭示连翘清热解毒的分子机制是通过连翘中多种有效成分与多个靶点同时结合,通过抗炎作用协同增效发挥作用。本研究初步阐释连翘清热解毒的科学内涵,为连翘的临床合理用药奠定理论基础。

     

    Abstract: Forsythia suspensa is a herbal medicine that widely used for heat-clearing and detoxification in clinical practice. However, the molecular mechanism of its heat-clearing and detoxifying effect is still unclear. Based on the theory and methods of network pharmacology, the efficacy of the heat-clearing and detoxification of Forsythia suspensa was analyzed in this study. A total of 114 of compounds in Forsythia suspensa were collected, and 15 of effective compounds were obtained by analyzing the bioavailability (OB) and drug-like properties (DL). Then 26 corresponding targets were obtained using reverse pharmacophore-docking method. Using the BioGPS database, the organ location of the target initially was revealed. The compound-targetdisease network model of Forsythia suspensa was constructed by using the Cytoscape, which showed that the material basis of the heat-clearing and detoxification of Forsythia suspensa was to synthesize and synergize the effects by combining various active ingredients of multiple targets, simultaneously. This study explains the scientific mechanism of the heat-clearing and detoxification of Forsythia suspensa, and provides a theoretical foundation for clinical rational usage of Forsythia suspensa.

     

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