Elucidation of the molecular mechanism of Sanguisorba Officinalis L. against leukopenia based on network pharmacology.
Elucidation of the molecular mechanism of Sanguisorba Officinalis L. against leukopenia based on network pharmacology.
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DOI：
10.1016/j.biopha.2020.110934
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发表时间：
2020-11
期刊：
影响因子：
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通讯作者：
Long Wang;Hong Li;Xin Shen;Jing Zeng;Liang Yue;Jingjing Lin;Jing Yang;Wenjun Zou;Yan Li-Yan
中科院分区：
文献类型：
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作者：
Long Wang;Hong Li;Xin Shen;Jing Zeng;Liang Yue;Jingjing Lin;Jing Yang;Wenjun Zou;Yan Li-Yan
白细胞减少症是临床上造血系统疾病最常见的标志。是一种传统中药，长期以来一直用于缓解白细胞减少症。然而，其相关机制仍然未知。本研究采用网络药理学方法探讨地榆的作用机制。对抗白细胞减少症首先，对地榆的12个活性成分进行了研究。通过TCMSP数据库进行吸收、分布、代谢、排泄（ADME）筛选和UHPLC-MS分析。然后，分别通过Swiss Target Prediction数据库、GeneCards数据库和DisGeNET数据库预测了所鉴定的活性化合物的258个白细胞减少症相关靶标。在取两个相关目标的交集后，选择了72个共同目标。其中地榆的8个核心靶点（VEGFA、HSP 90 AA 1、EGFR、PTGS 2、MTOR、ESR 1、ERBB 2、MDM 2）。对白细胞减少症的影响。同时，GO和KEGG通路分析均显示，核心靶点主要集中在PI 3 K-Akt、HIF-1、VEGF和雌激素信号通路。此外，还通过分子对接模拟，探讨了12个地榆活性化合物之间的结合能力. 8个核心目标。此外，还建立了骨髓抑制小鼠模型，以评价地榆的保护作用。对抗白细胞减少症结果表明，地榆乙醇提取物具有较好的抗肿瘤活性。显著增加外周白色血细胞的数量。总之，本研究为深入了解地榆的作用机制提供了新的思路.为进一步的实验验证和临床应用奠定了理论基础。
Leukopenia is the most common hallmark of hematopoietic diseases in clinic.Sanguisorba OfficinalisL., a traditional Chinese medicine, has long been used for alleviating leukopenia. However, its associated mechanism still remains unknown. In this study, a network pharmacology approach was used to elucidate the underlying mechanisms ofSanguisorba OfficinalisL. against leukopenia. Firstly, 12 active compounds ofSanguisorba OfficinalisL. were identified through TCMSP database with absorption, distribution, metabolism, excretion (ADME) screening, and UHPLC-MS analysis. Then, 258 leukopenia related targets of the identified active compounds were predicted via the Swiss Target Prediction database, GeneCards database and DisGeNET database, respectively. After taking the intersection of two related targets, 72 common targets were selected. Among them, 8 core targets (VEGFA, HSP90AA1, EGFR, PTGS2, MTOR, ESR1, ERBB2, MDM2) ofSanguisorba OfficinalisL. against leukopenia were obtained through the topological analysis. Meanwhile, both the GO and KEGG pathway analysis reveal that the core targets are mainly enriched in PI3K-Akt, HIF-1, VEGF and estrogen signaling pathways. In addition, molecular docking simulation was performed to explore the binding ability between the 12 active compounds ofSanguisorba OfficinalisL. with 8 core targets. Furthermore, a myelosuppressive mice model was established to evaluate the protective effect ofSanguisorba OfficinalisL. against leukopenia. The results showed that the ethanol extract ofSanguisorba OfficinalisL. significantly raised the number of peripheral white blood cells. Overall, this study provides an insight into the underlying mechanisms ofSanguisorba OfficinalisL. against leukopenia, which lays a theoretical foundation for the further experimental verification and clinical application.