| 引用本文: | 任宁,陈赟,杨越悦,何昱,曾义英,章勤.基于指纹图谱和网络药理学的健脾安胎颗粒质量标志物预测与分析[J].中国现代应用药学,2025,42(18):41-50. |
| Renning,chen yun,yang yueyue,he yu,zeng yiying,zhang qin.Prediction and Analysis of Quality Markers for Jianpi Antai Granules Based on Fingerprint Chromatography and Network Pharmacology[J].Chin J Mod Appl Pharm(中国现代应用药学),2025,42(18):41-50. |
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| 摘要: |
| 摘要：目的 本研究旨在通过高效液相色谱（HPLC）法对健脾安胎颗粒进行多成分指纹图谱分析，并结合网络药理学预测其潜在的质量标志物（Q-Marker），为健脾安胎颗粒的全面质控提供科学依据。
方法 采用HPLC法对健脾安胎颗粒进行指纹图谱分析，预测其潜在Q-Marker。同时，通过网络药理学方法预测健脾安胎颗粒治疗自然流产的作用靶点，采用分子对接技术评估质量标志物与核心靶点的结合亲和力。。
结果 成功建立了健脾安胎颗粒的HPLC指纹图谱，共识别出7个主要色谱峰作为质量标志物。网络药理学分析预测出128个作用靶点，涉及PI3K-Akt/Ras/MAPK等重要信号通路。分子对接结果显示，质量标志物与关键靶点具有良好的结合亲和力，其中hyperin与AKT1的结合能最低为-10.6 kcal/mol。
结论 所建立的HPLC指纹图谱稳定性、重复性好，可为健脾安胎颗粒的质量评价提供参考。通过网络药理学成功预测并验证了健脾安胎颗粒的潜在质量标志物及其作用机制，为进一步的作用机制研究提供了科学依据。 |
| 关键词: 健脾安胎颗粒 高效液相色谱法 指纹图谱 网络药理学 质量标志物 |
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| 基金项目:医院制剂健脾安胎合剂的二次开发研究 |
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| Prediction and Analysis of Quality Markers for Jianpi Antai Granules Based on Fingerprint Chromatography and Network Pharmacology |
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Renning1, chen yun1, yang yueyue2, he yu2, zeng yiying3, zhang qin4
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1.Hangzhou TCM Hospital of Zhejiang Chinese Medical University(Hangzhou TCM Hospital of Zhejiang Chinese Medical University);2.School of Pharmaceutical Sciences, Zhejiang Chinese Medical University;3.Hangzhou Normal University;4.Hangzhou TCM Hospital of Zhejiang Chinese Medical University
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| Abstract: |
| ABSTRACT: OBJECTIVE The aim of this study was to perform a multi-component fingerprint analysis of Jianpi Antai Granules using HPLC and predict potential Q-Markers through network pharmacology, providing a scientific basis for comprehensive quality control of Jianpi Antai Granules. METHODS HPLC was employed to analyze the fingerprint of Jianpi Antai Granules and predict its potential Q-Markers. Concurrently, network pharmacology methods were utilized to predict the therapeutic targets of Jianpi Antai Granules for spontaneous abortion, and molecular docking techniques were applied to evaluate the binding affinity between Q-Markers and core targets. RESULTS An HPLC fingerprint of Jianpi Antai Granules was successfully established, identifying seven major chromatographic peaks as Q-Markers. Network pharmacology analysis predicted 128 therapeutic targets, involving crucial signaling pathways such as PI3K-Akt/Ras/MAPK. Molecular docking results revealed good binding affinity between Q-Markers and key targets, with the lowest binding energy of -10.6 kcal/mol between hyperin and AKT1. CONCLUSION The established HPLC fingerprint exhibits good stability and reproducibility, providing a reference for quality evaluation of Jianpi Antai Granules. The potential Q-Markers and their mechanisms of action were successfully predicted and validated through network pharmacology, providing a scientific basis for further research on their mechanisms of action. |
| Key words: Jianpi antai granules HPLC fingerprint network pharmacology Q-Marker |
