Quality Evaluation of Qinggan Granules Based on UPLC-Q-Exactive-Orbitrap-MS and Network Pharmacology
Objective:To elucidate the material basis of Qinggan Granules in treating icteric hepatitis and establish a scientific quality control method.Methods:The active components of Qinggan Granules were characterized and analyzed using ultra-high-per-formance liquid chromatography-quadrupole-electrostatic field orbitrap mass spectrometry(UPLC-Q-Exactive-Orbitrap-MS).Net-work pharmacology and molecular docking were conducted with the identified active components as target objects,and a multi-com-ponent quantification method was established.Results:A total of 134 components were identified,including 50 flavonoids,8 glyco-sides,17 phenylpropanoids,11 triterpenoids,6 terpenoids,11 amino acids,9 organic acids,7 fatty acids,8 alkaloids,5 essential oils,and 1 quinone.The fragmentation patterns of representative compounds from flavonoids,terpenoids,organic acids,alkaloids,and glycosides were analyzed.Network pharmacology analysis identified 8 core targets,and the main active components were predic-ted to be isoglycyrrhizin,adenosine,glycyrrhizin,guanosine,and 4,5-dicaffeoylquinic acid.Based on measurability,characteristic features,and activity relevance,a quantification method for five potential active components,including 3,4-dicaffeoylquinic acid,(R,S)-goitrin,glycyrrhizin,4,5-dicaffeoylquinic acid,and ammonium glycyrrhizinate,was established.Conclusion:The main phar-macologically active components of Qinggan Granules in treating icteric hepatitis were identified and quantitatively studied,provi-ding a basis for improving the quality control of Qinggan Granules.
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