网络药理学结合特征图谱及多元统计分析预测热炎宁合剂质量标志物

张爱花; 张颖; 雷璇; 靳雅珂; 高蓉; 宋逍; 马爱华

doi:10.13748/j.cnki.issn1007-7693.20243132

网络药理学结合特征图谱及多元统计分析预测热炎宁合剂质量标志物

Q-markers Pediction of Reyanning Mixture Based on Network Pharmacology Combined with Aracteristic Chromatogram and Multivariate Statistical Analysis

摘要

摘要:
目的基于网络药理学及特征图谱预测热炎宁合剂抗甲流的质量标志物。
方法基于文献及网络药理学筛选出热炎宁合剂的关键药效成分，结合热炎宁合剂HPLC特征图谱，预测热炎宁合剂的质量标志物，并进行分子对接验证和含量测定。
结果热炎宁合剂的质量标志物为咖啡酸、虎杖苷、大黄素和白藜芦醇，它们能与主要的抗甲流靶点稳定结合，其含量在多批次样品间具有一定差异，其中虎杖苷含量相对较高。
结论咖啡酸、虎杖苷、大黄素和白藜芦醇可作为热炎宁合剂抗甲流的质量标志物。

Abstract:
OBJECTIVE To predict the quality markers(Q-markers) of Reyanning mixture for anti-influenza A based on aracteristic chromatogram and network pharmacology.
METHODS The key pharmacodynamic components of Reyanning mixture were screened based on literature and network pharmacology. Combined with the HPLC aracteristic chromatogram of Reyanning mixture, these components were used to predicte the Q-markers. Molecular docking verification and content determination were then carried out.
RESULTS The Q-markers of Reyanning mixture were identified as caffeic acid, polydatin, emodin, and resveratrol. These compounds could bind stably to the major anti-influenza A targets, while their contents varied across different batches of samples, polydatin consistently showed a higher concentration.
CONCLUSION The caffeic acid, polydatin, emodin and resveratrol can be used as Q-markers of Reyanning mixture of anti-influenza A .

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