Active components and mechanism of Jinwugutong Capsules in treatment of osteoporosis: a study based on UPLC-Q-Exactive-MS/MS combined with network pharmacology.
10.19540/j.cnki.cjcmm.20230202.701
- Author:
Xiao-Shuang YANG
1
;
Xin-Li SONG
2
;
Xue-Li SONG
1
;
Ying-Yong YANG
3
;
Wen LIU
4
;
Sheng-Lei YANG
1
;
Jia-Nan SHI
1
;
Li SHEN
1
;
Kai-Long WAN
1
;
Xing-de LIU
1
Author Information
1. School of Pharmacy, Guizhou University of Traditional Chinese Medicine Guiyang 550025, China.
2. School of Pharmacy, Guizhou University of Traditional Chinese Medicine Guiyang 550025, China National Engineering Research Center of Miao's Medicines Guiyang 550025, China Guizhou Chinese Medicine Processing and Preparation Engineering Technology Research Center Guiyang 550025, China.
3. Guizhou Shenqi Pharmaceutical Co., Ltd. Guiyang 550004, China.
4. School of Pharmacy, Guizhou Medical University Guiyang 550025, China.
- Publication Type:Journal Article
- Keywords:
Jinwugutong Capsules;
UPLC-Q-Exactive-MS/MS;
molecular docking;
network pharmacology;
osteoporosis
- MeSH:
Animals;
Tumor Necrosis Factor-alpha/genetics*;
Network Pharmacology;
Capsules;
Molecular Docking Simulation;
Phosphatidylinositol 3-Kinases;
Reproducibility of Results;
Tandem Mass Spectrometry
- From:
China Journal of Chinese Materia Medica
2023;48(12):3360-3372
- CountryChina
- Language:Chinese
-
Abstract:
UPLC-Q-Exactive-MS/MS and network pharmacology were employed to preliminarily study the active components and mechanism of Jinwugutong Capsules in the treatment of osteoporosis. Firstly, UPLC-Q-Exactive-MS/MS was employed to characterize the chemical components of Jinwugutong Capsules, and network pharmacology was employed to establish the "drug-component-target-pathway-disease" network. The key targets and main active components were thus obtained. Secondly, AutoDock was used for the molecular docking between the main active components and key targets. Finally, the animal model of osteoporosis was established, and the effect of Jinwugutong Capsules on the expression of key targets including RAC-alpha serine/threonine-protein kinase(AKT1), albumin(ALB), and tumor necrosis factor-alpha(TNF-α) was determined by enzyme-linked immunosorbent assay(ELISA). A total of 59 chemical components were identified from Jinwugutong Capsules, among which coryfolin, 8-prenylnaringenin, demethoxycurcumin, isobavachin, and genistein may be the main active components of Jinwugutong Capsules in treating osteoporosis. The topological analysis of the protein-protein interaction(PPI) network revealed 10 core targets such as AKT1, ALB, catenin beta 1(CTNNB1), TNF, and epidermal growth factor receptor(EGFR). The Kyoto Encyclopedia of Genes and Genomes(KEGG) enrichment showed that Jinwugutong Capsules mainly exerted the therapeutic effect by regulating the phosphatidylinositol 3-kinase(PI3K)/protein kinase B(AKT) signaling pathway, neuroactive ligand-receptor interaction, mitogen-activated protein kinase(MAPK) signaling pathway, Rap1 signaling pathway and so on. Molecular docking showed that the main active components of Jinwugutong Capsules well bound to the key targets. ELISA results showed that Jinwugutong Capsules down-regulated the protein levels of AKT1 and TNF-α and up-regulated the protein level of ALB, which preliminarily verified the reliability of network pharmacology. This study indicates that Jinwugutong Capsules may play a role in the treatment of osteoporosis through multiple components, targets, and pathways, which can provide reference for the further research.
