| 引用本文: |
刘辉, 张恒, 陶叶琴, 聂格, 欧阳文.基于指纹图谱和网络药理学预测丹楂通脉丸药效物质基础[J].湖南中医药大学学报,2024,44(8):1373-1384[点击复制] |
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| 基于指纹图谱和网络药理学预测丹楂通脉丸药效物质基础 |
| 刘辉,张恒,陶叶琴,聂格,欧阳文 |
| (湖南中医药大学, 湖南 长沙 410208;浏阳市中医医院, 湖南 浏阳 410300;湖南中医药大学附属第二中西医结合医院, 湖南 浏阳 410300) |
| 摘要: |
| 目的 建立丹楂通脉丸的指纹图谱，利用化学计量学分析色谱峰贡献率，结合网络药理学方法预测其药效物质基础。方法 采用Agilent C18色谱柱（250 mm×4.6 mm，5 μm），检测波长280 nm，流动相0.1%磷酸水-乙腈，流速1.0 mL·min-1，梯度洗脱，建立丹楂通脉丸甲醇提取物指纹图谱。利用网络药理学筛选相关成分的靶点和通路，构建“成分-靶点-通路”网络，对丹楂通脉丸潜在的药效物质与关键靶点进行分子对接验证。通过体外实验验证潜在的药效物质的抗炎活性。结果 10批样品指纹图谱中有15个共有峰，2个特征峰被指认，分别为丹酚酸B和丹酚酸A。网络药理学分析表明，丹酚酸B和丹酚酸A是丹楂通脉丸发挥活性作用的有效成分，预测其可作为丹楂通脉丸的主要药效物质。体外细胞实验证明，与模型组比较，丹酚酸B高、中、低剂量组NO释放量均明显降低（P＜0.01），丹酚酸A高剂量组NO释放量显著下降（P＜0.01），具有一定的抗炎活性。结论 通过指纹图谱和网络药理学预测丹楂通脉丸药效物质，为丹楂通脉丸质量的全面控制和评价提供了科学依据。 |
| 关键词: 丹楂通脉丸 高效液相色谱 指纹图谱 网络药理学 分子对接 药效物质 |
| DOI：10.3969/j.issn.1674-070X.2024.08.004 |
| 投稿时间：2023-11-30 |
| 基金项目:湖南省普通高等学校教学改革研究项目（HNJG-2021-0577）；湖南中医药大学中药学一流建设学科项目（校行科字〔2018〕3号）；湖南省中医药管理局基金项目（B2024135）；湖南中医药大学校级科研基金项目（2022XYLH071）。 |
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| Predicting the pharmacodynamic material basis of Danzha Tongmai Pill based on fingerprint and network pharmacology |
| LIU Hui, ZHANG Heng, TAO Yeqin, NIE Ge, OUYANG Wen |
| (Hunan University of Chinese Medicine, Changsha, Hunan 410208, China;Liuyang Hospital of Chinese Medicine, Liuyang, Hunan 410300, China;The Second Hospital of Integrative Medicine of Hunan University of Chinese Medicine, Liuyang, Hunan 410300, China) |
| Abstract: |
| Objective To establish the fingerprint of Danzha Tongmai Pill (DZTMP), and to analyze the contribution rate of chromatographic peaks using chemometrics, and predict its pharmacodynamic material basis combined with network pharmacology methods. Methods Using a Agilent C18 chromatographic column (250 mm×4.6 mm, 5 μm) with a detection wavelength of 280 nm, a mobile phase of 0.1% phosphoric acid water-acetonitrile, a flow rate of 1.0 mL·min-1, and gradient elution, the fingerprint of the methanol extract of DZTMP was established. Using network pharmacology to screen relevant component targets and pathways, a "component-target-pathway" network was constructed, and molecular docking verification was performed on the potential pharmacodynamic materials and key targets of DZTMP. The anti-inflammatory activity of potential pharmacodynamic materials was verified through in vitro experiments. Results Among the fingerprint spectra of 10 batches of samples, there were 15 common peaks, with two characteristic peaks identified as salvianolic acid B and salvianolic acid A. Network pharmacology analysis indicated that salvianolic acid B and salvianolic acid A were the active components responsible for the efficacy of DZTMP, and they were predicted to be the main pharmacodynamic material basis of the medicine. In vitro cell experiments demonstrated that, compared with the model group, the NO release in the high-, medium-, and low-dose salvianolic acid B groups was significantly reduced (P＜0.01), and the NO release in the high-dose salvianolic acid A group was also significantly decreased (P＜0.01), indicating certain anti-inflammatory activity. Conclusion Predicting the pharmacodynamic material basis of DZTMP through fingerprint spectra and network pharmacology provides a scientific basis for the comprehensive control and evaluation of the quality of DZTMP. |
| Key words: Danzha Tongmai Pill HPLC fingerprint network pharmacology molecular docking pharmacodynamic materials |
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