鼻渊通窍颗粒全时段等基线多波长融合指纹图谱研究及质量标志物预测分析

Study on Full-time Iso-Baseline Multi-Wavelength Fusion Fingerprints and Q-Marker Prediction of Biyuan Tongqiao Granules

目的构建鼻渊通窍颗粒的全时段等基线多波长融合指纹图谱,并对其质量标志物(QMarker)进行分析预测。方法采用超高效液相色谱法,结合多波长融合技术,对3波长(286 nm、300 nm、330 nm)的色谱数据利用计算机编程软件实现多波长融合,建立同时反映3个波长信息的指纹图谱,并利用相关文献和数据库预测鼻渊通窍颗粒潜在的有效物质、靶点和通路,构建“成分-靶点-通路”网络,最后基于“五原则”预测鼻渊通窍颗粒的Q-Marker。结果建立了鼻渊通窍颗粒全时段等基线多波长融合指纹图谱,确定了22个共有峰并指认出14个化学成分;通过网络药理学构建了包含鼻渊通窍颗粒16个成分、44个靶点、20条相关通路的“成分-靶点-通路”网络,分析得出以上16种成分均可能为鼻渊通窍颗粒的有效物质;通过“五原则”对Q-Marker进行预测,发现绿原酸、阿魏酸、连翘酯苷A、黄芩苷、盐酸麻黄碱、丹酚酸B、蒙花苷、盐酸伪麻黄碱基本满足“五原则”,建议将以上8种成分作为鼻渊通窍颗粒的Q-Marker。结论本研究利用全时段等基线多波长融合,成功构建了鼻渊通窍颗粒的指纹图谱,并预测了Q-Marker,可为鼻渊通窍颗粒质量的全面控制提供参考。

Objective Constructing the full-time iso-baseline multi-wavelength fusion fingerprint of Biyuan Tongqiao granules,and analyzing and predicting its Q-Marker.Methods Using UPLC,combined with multi-wavelength fusion technology,the chromatographic data of 3 wavelengths(286 nm,300 nm,330 nm)was fused by computer programming software to achieve multi-wavelength fusion,and a fingerprint that reflected the information of the 3 wavelengths was established.The"component-target-pathway"network was constructed to predict the potential effective substances,targets and pathways of Biyuan Tongqiao granules,and finally the Q-Marker of Biyuan Tongqiao granules was predicted based on the"five principles".Results A full-time iso-baseline multi-wavelength fusion fingerprint of Biyuan Tongqiao granules was established,22 common peaks were identified and 14 chemical components were identified;through network pharmacology,16 compounds,44 targets,The"component-target-pathway"network of 20 related pathways shows that the above 16 compounds may be the effective substances of Biyuan Tongqiao granules;Q-Marker is predicted through the"five principles",and it is found that Chlorogenic acid,Ephedrine hydrochloride,Pseudoephedrine hydrochloride,Ferulic acid,Forsythoside A,Salvianolic acid B,Baicalin and Linarin basically meet the"five principles".It is recommended to use the above 8 components as the Q-Marker of Biyuan Tongqiao granules.Conclusion In this study,the full-time iso-baseline multi-wavelength fusion fingerprints of Biyuan Tongqiao granules was established for the whole time period,and the Q-Marker was predicted,which could provide a reference for the overall quality control of Biyuan Tongqiao granules.