Exploration of pharmacodynamic material basis and mechanism of Jinbei Oral Liquid against idiopathic pulmonary fibrosis based on UHPLC-Q-TOF-MS/MS and network pharmacology.
10.19540/j.cnki.cjcmm.20250208.201
- Author:
Jin-Chun LEI
1
;
Si-Tong ZHANG
1
;
Xian-Run HU
1
;
Wen-Kang LIU
1
;
Xue-Mei CHENG
1
;
Xiao-Jun WU
1
;
Wan-Sheng CHEN
1
;
Man-Lin LI
1
;
Chang-Hong WANG
1
Author Information
1. Key Laboratory of Standardization of Chinese Materia Medica, Ministry of Education, Shanghai Key Laboratory of Compound Chinese Medicines, Institute of Chinese Materia Medica, Shanghai University of Traditional Chinese Medicine Shanghai 201203, China.
- Publication Type:Journal Article
- Keywords:
Jinbei Oral Liquid;
UHPLC-Q-TOF-MS/MS;
fragmentation pattern;
idiopathic pulmonary fibrosis;
molecular docking;
serum pharmacochemistry
- MeSH:
Drugs, Chinese Herbal/pharmacokinetics*;
Animals;
Tandem Mass Spectrometry;
Network Pharmacology;
Rats;
Chromatography, High Pressure Liquid;
Rats, Sprague-Dawley;
Male;
Idiopathic Pulmonary Fibrosis/metabolism*;
Humans;
Administration, Oral;
Protein Interaction Maps/drug effects*;
Signal Transduction/drug effects*
- From:
China Journal of Chinese Materia Medica
2025;50(10):2825-2840
- CountryChina
- Language:Chinese
-
Abstract:
This study aims to explore the pharmacodynamic material basis of Jinbei Oral Liquid(JBOL) against idiopathic pulmonary fibrosis(IPF) based on serum pharmacochemistry and network pharmacology. The ultra-high performance liquid chromatography-quadrupole time-of-flight tandem mass spectrometry(UHPLC-Q-TOF-MS/MS) technology was employed to analyze and identify the components absorbed into rat blood after oral administration of JBOL. Combined with network pharmacology, the study explored the pharmacodynamic material basis and potential mechanism of JBOL against IPF through protein-protein interaction(PPI) network construction, "component-target-pathway" analysis, Gene Ontology(GO) functional enrichment, and Kyoto Encyclopedia of Genes and Genomes(KEGG) pathway enrichment analysis. First, a total of 114 compounds were rapidly identified in JBOL extract according to the exact relative molecular mass, fragment ions, and other information of the compounds with the use of reference substances and a self-built compound database. Second, on this basis, 70 prototype components in blood were recognized by comparing blank serum with drug-containing serum samples, including 28 flavonoids, 25 organic acids, 4 saponins, 4 alkaloids, and 9 others. Finally, using these components absorbed into blood as candidates, the study obtained 212 potential targets of JBOL against IPF. The anti-IPF mechanism might involve the action of active ingredients such as glycyrrhetinic acid, cryptotanshinone, salvianolic acid B, and forsythoside A on core targets like AKT1, TNF, and ALB and thereby the regulation of multiple signaling pathways including PI3K/AKT, HIF-1, and TNF. In conclusion, JBOL exerts the anti-IPF effect through multiple components, targets, and pathways. The results would provide a reference for further study on pharmacodynamic material basis and pharmacological mechanism of JBOL.
