Mechanism of Magnoliae Officinalis Cortex in treatment of peptic ulcer based on network pharmacology and molecular docking.
10.19540/j.cnki.cjcmm.20210609.702
- Author:
Jue YANG
1
;
Xiao LUO
2
;
Fang LIU
1
;
Lu-Jie LIN
1
;
Yuan GAO
1
;
Qi ZHOU
3
Author Information
1. School of Pharmacy, Chengdu University of Traditional Chinese Medicine Chengdu 611137, China.
2. Chengdu Institute for Food and Drug Control Chengdu 610000, China.
3. China Resources Sanjiu Medical & Pharmaceutical Co., Ltd. Huangshi 435000, China.
- Publication Type:Journal Article
- Keywords:
Magnoliae Officinalis Cortex;
PPAR-γ signaling pathway;
molecular docking;
network pharmacology;
p53 signaling pathway;
peptic ulcer disease
- MeSH:
Drugs, Chinese Herbal;
Humans;
Molecular Docking Simulation;
Peptic Ulcer;
Protein Interaction Maps;
Receptor, Muscarinic M1;
Signal Transduction
- From:
China Journal of Chinese Materia Medica
2021;46(17):4522-4530
- CountryChina
- Language:Chinese
-
Abstract:
Magnoliae Officinalis Cortex(Houpo) can treat peptic ulcer disease(PUD), the mechanism of which remains unclear. In this study, network pharmacology and molecular docking were employed to predict the mechanism of Houpo in the treatment of PUD. Through literature review and TCMSP screening, 15 main active ingredients were obtained. The SwissTargetPrediction database was used to predict the potential targets of the ingredients, and Therapeutic Target Database(TTD), DrugBank, and Human Phenotype Ontology(HPO) to screen the disease-related targets. A total of 49 potential targets were obtained by the intersection of active ingre-dients-related targets and disease-related targets. Cytoscape 3.6.1 was employed to construct the protein-protein interaction network for the targets with high confidence(score>0.700) screened out by STRING. The DAVID database was used for GO and KEGG pathway enrichment of potential targets. GO enrichment analysis showed that the treatment mechanism was mostly related to nuclear receptor activity, ligand-activated transcription factor activity, and G protein-coupled acetylcholine receptor activity. KEGG enrichment analysis found that Houpo could regulate material metabolism, endocrine system, p53 signaling pathway, and PPAR signaling pathway. Molecu-lar docking verified that all 15 ingredients had good binding activities with key targets(CHRM1, CHRM2, FABP1, mTOR, and STAT3). The results mean that Houpo can treat PUD by participating in cell metabolism, inhibiting inflammatory cytokines, and regulating cell proliferation and apoptosis.
