基于网络药理学和特征图谱预测瑶药小叶三点金潜在质量标志物

谢洁兰; 梁建丽; 莫小莹; 陈晓春; 黄秋燕; 卿丽婷; 谢鲜丽; 梁平; 罗威; 潘小姣; 李耀华

doi:10.13748/j.cnki.issn1007-7693.20232786

基于网络药理学和特征图谱预测瑶药小叶三点金潜在质量标志物

Prediction of Potential Quality Markers of Yao Medicine Desmodium Microphyllum (Thunb.) DC. Based on Network Pharmacology and Characteristic Chromatograms

摘要

摘要:
目的基于质量标志物(quality markers，Q-Marker)“五原则”、网络药理学、分子对接技术及HPLC特征图谱预测小叶三点金药材中的潜在Q-Marker。
方法应用网络药理学构建小叶三点金“药物-成分-靶点-通路”的网络，对其潜在Q-Marker进行预测；采用HPLC建立12批小叶三点金药材特征图谱，进一步验证小叶三点金潜在的Q-Marker。
结果基于Q-Marker“五原则”筛选出小叶三点金7个潜在的Q-Marker；采用网络药理学方法筛选出6个潜在Q-Marker；建立了12批小叶三点金药材特征图谱，确认了6个特征共有峰，指认出2个色谱峰，分别为异荭草苷和荭草苷；进一步验证了可将异荭草苷、荭草苷作为小叶三点金潜在的Q-Marker。
结论建立的HPLC特征图谱方法稳定可行，筛选的异荭草苷和荭草苷2个成分可作为小叶三点金潜在的Q-Marker，为小叶三点金药材质量控制和药效物质基础及作用机制研究提供了参考依据。

Abstract:
OBJECTIVE To analyse and predict the potential quality markers(Q-Marker) of Desmodium microphyllum (Thunb.) DC. which based on the "Five Principles" of quality markers, network pharmacology, molecular docking techniques and characteristic HPLC chromatograms.
METHODS The "drug-ingredient-target-pathway" network was constructed by network pharmacology method to predict the potential Q-Marker of Desmodium microphyllum. The characteristic chromatograms of 12 batches of Desmodium microphyllum were established by HPLC. The potential Q-Marker of Desmodium microphyllum were further verified.
RESULTS Based on the "Five Principles" of Q-Marker, 7 potential Q-Marker of Desmodium microphyllum were selected. Six potential Q-Marker were identified by network pharmacology. The characteristic chromatograms of 12 batches of Desmodium microphyllum were established. Six common peaks were calibrated and two of them were identified, they were isoorientin and orientin, respectively. It was further confirmed that isoorientin and orientin could be used as potential Q-Marker of Desmodium microphyllum.
CONCLUSION The established characteristic HPLC chromatograms method is stable and feasible, and the two differential ingredients of isoorientin and orientin screened can be used as potential Q-Marker of Desmodium microphyllum, which provided reference for the quality control and pharmacological mechanism research of Desmodium microphyllum.

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