Analysis on Pharmacodynamic Material Basis and Mechanism of Famous Classical Formula Renshen Wuweizi Tang in Treatment of Spleen and Lung Qi Deficiency Syndrome
10.13422/j.cnki.syfjx.20251361
- VernacularTitle:经典名方人参五味子汤治疗脾肺气虚证的药效物质基础和作用机制分析
- Author:
Shanshan LI
1
;
Yute ZHONG
1
;
Xiaomei XIANG
1
;
Wei KANG
2
;
Shufan ZHOU
2
;
Ping WANG
1
;
Haiyu XU
1
Author Information
1. Key Laboratory for Research and Evaluation of Traditional Chinese Medicine， National Medical Products Administration，Institute of Chinese Materia Medica， China Academy of Chinese Medical Sciences，Beijing 100700，China
2. Liaoning Herbapex Pharmaceutical（Group） Co. Ltd.，Benxi 117000，China
- Publication Type:Journal Article
- Keywords:
Renshen Wuweizi Tang;
famous classical formulas;
ultra-high performance liquid chromatography-quadrupole-time-of-flight mass spectrometry（UPLC-Q-TOF-MS/MS）;
network pharmacology;
molecular docking;
pharmacological substance;
mechanism
- From:
Chinese Journal of Experimental Traditional Medical Formulae
2025;31(8):31-39
- CountryChina
- Language:Chinese
-
Abstract:
ObjectiveBased on ultra-high performance liquid chromatography-quadrupole-time-of-flight mass spectrometry（UPLC-Q-TOF-MS/MS）， network pharmacology and molecular docking techniques， to explore the pharmacodynamic material basis and mechanism of Renshen Wuweizi Tang in treating spleen-lung Qi deficiency syndrome. MethodsThe chemical components in the decoction of Renshen Wuweizi Tang were systematically characterized and identified by UPLC-Q-TOF-MS/MS， and network pharmacology was used to screen potential active ingredients， collect component targets and gene sets related to spleen-lung Qi deficiency syndrome， and obtain protein interaction relationships through STRING. Cytoscape 3.9.1 was used to construct a "formula-syndrome" association network and calculate topological feature values. Gene ontology（GO） function and Kyoto Encyclopedia of Genes and Genomes（KEGG） pathway enrichment analysis were performed on core genes to explore potential pharmacodynamic links， the average shortest path between the formula-drug target network and the pharmacodynamic link gene network was calculated to discover dominant pharmacodynamic links， and MCODE plugin was used to identify core gene clusters from the dominant pharmacodynamic links， which were validated using Gene Expression Omnibus（GEO）， and molecular docking was performed between key components and core targets. ResultsOne hundred and thirty-seven components were identified in the negative ion mode， and eighty components were identified in the positive ion mode. After deduplication， a total of 185 components were identified， mainly composed of triterpenoid saponins（49） and flavonoids（54）. Based on the "formula-syndrome" correlation network analysis， energy metabolism was determined to be the dominant pharmacodynamic link of Renshen Wuweizi Tang in the treatment of spleen-lung Qi deficiency syndrome. The results of molecular docking showed that 7 components（adenosine， atractylenolide Ⅱ， atractylenolide Ⅲ， ginsenoside Rg1， glycyrrhizin B2， glycyrrhizin E2 and campesterol） from 4 medicinal materials（Ginseng Radix et Rhizoma， Atractylodis Macrocephalae Rhizoma， Glycyrrhizae Radix et Rhizoma and Poria） in this formula might regulate energy metabolism by acting on 6 targets， namely cyclic adenosine monophosphate-response element binding protein 1（CREB1）， glyceraldehyde-3-phosphate dehydrogenase（GAPDH）， interleukin（IL）-6， nuclear transcription factor（NF）-κB1， peroxisome proliferator-activated receptor α（PPARα）， and tumor necrosis factor（TNF）， thus improving the symptoms of diseases related to spleen-lung Qi deficiency syndrome. ConclusionThis study established a UPLC-Q-TOF-MS/MS for rapid characterization and identification of chemical components in the decoction of Renshen Wuweizi Tang， expanding the understanding of the material composition of this formula， and found that 7 components might act on the key advantageous pharmacodynamic link "energy metabolism" through 6 targets to improve the related symptoms of spleen-lung Qi deficiency syndrome. This can provide a reference for the subsequent exploration of the material benchmark and mechanism of the famous classical formula.
