关键词:

"> 玉叶解毒颗粒, 指纹图谱, 多成分定量分析, 网络药理学, 质量标志物, 质量评价

Abstract:

This study aims to analyze and predict the potential quality marker (Q-Marker) of Yuye Jiedu Granule (YJG) based on fingerprint,chemical pattern recognition,multi-component quantification and network pharmacology,providing a scientific basis for its quality evaluation. HPLC fingerprints combined with pattern recognition were used to identify potential QMarker in YJG,followed by quantitative determination. A " formula-component-target-disease" network was constructed via network pharmacology to analyze Q-Marker associated with the efficacy of YJG. Molecular docking was further employed to verify the binding affinity between potential Q-Marker and core targets. The HPLC fingerprinting method met all analytical requirements,identifying 19 common peaks. Through reference standard comparison,12 peaks were assigned,and the similarity of 30 batches of samples was greater than 0. 90. Principal component analysis showed no abnormal batches,indicating good inter-batch consistency,with the upper control limits for Hotelling′s T² and DModX at 22. 36 and 1. 55,respectively. Orthogonal partial least squares discriminant analysis identified the primary differential components as neochlorogenic acid,shanzhiside methyl ester,chlorogenic acid,cryptochlorogenic acid,loganin,secoxyloganin,luteolin-7-O-glucoside,isochlorogenic acid B, isochlorogenic acid A,isochlorogenic acid C,luteolin,and linarin. The quantitative analysis of these 12 components showed good methodological results,with average recoveries ranging from 97. 33% -104. 7% (RSD 0. 52% -1. 8% ). The mass fractions of these 12 components in 30 batches were 0. 428 4-1. 213 0,0. 014 7-0. 182 6,0. 425 8-1. 029 5,0. 463 9-1. 216 8, 0. 024 8-0. 166 5,0. 127 6-0. 378 3,0. 097 1-0. 187 3,0. 466 8-1. 216 4,0. 182 6-0. 517 2,0. 391 5-1. 024 9,0. 004 0-0. 013 1,and 0. 288 4-0. 753 7 mg/ g,respectively. Network pharmacology analysis suggested that YJG may intervene in upper respiratory tract infection (URTI) by regulating inflammation-and immune-related signaling pathways such as tumor necrosis factor ( TNF ), interleukin-17 ( IL-17 ), and phosphatidylinositol 3-kinase/ protein kinase B ( PI3K-AKT ) signaling pathways. Luteolin,isochlorogenic acid B,and isochlorogenic acid C were identified as core nodes in the network,representing the primary material basis and potential Q-Marker. Molecular docking confirmed strong binding activities between these three components and core targets. The established HPLC fingerprint,combined with chemical pattern recognition,multi-component quantification,network pharmacology,and molecular docking,effectively screens the main bioactive substances and potential Q-Marker. This study provides a robust basis for the selection of quality control indicators and the comprehensive evaluation of YJG.

Key words:

Yuye Jiedu Granule;fingerprint;multicomponent quantitative analysis;network pharmacology;quality marker, quality evaluation