YANG Liling, ZHOU Xiangjun, YAN Lijun, et al. Mechanism of Liangge Powder Inhibiting Cytokine Storm in Acute Lung Injury Based on Network Pharmacology and Molecular Docking[J]. 2021,21(7):780-787.
YANG Liling, ZHOU Xiangjun, YAN Lijun, et al. Mechanism of Liangge Powder Inhibiting Cytokine Storm in Acute Lung Injury Based on Network Pharmacology and Molecular Docking[J]. 2021,21(7):780-787. DOI: 10.14009/j.issn.1672-2124.2021.07.003.
OBJECTIVE: To probe into the mechanism of Liangge Powder inhibiting cytokine storm in acute lung injury( ALI) based on network pharmacology and molecular docking. METHODS: The active ingredients and action targets of Liangge Powder were screened from the traditional Chinese medicine systems pharmacology database and analysis platform; the disease targets of ALI were obtained from online mendelian inheritance in man
Gene Cards and other medical databases. Uniprot database was used to query the genes corresponding to the targets
R software and String database were adopted to construct protein-protein interaction( PPI) network
Cytoscape software was used to construct herbal-compound-target interaction network
R software was used to perform gene ontology( GO) function enrichment analysis and Kyoto encyclopedia of genes and genomes( KEGG) pathway enrichment analysis
so as to predict the molecular mechanisms. Autodock Vina software was adopted to conduct molecular docking on the core components of Liangge Powder with IL-1β
IL-6
TNF-α receptors and glycogen synthase kinase 3β. RESULTS:Totally 149 active ingredients and 237 targets were found in Liangge Powder in the treatment of ALI
the key targets involving AKT1
IL-6 and MAPK3
etc.; the GO functional enrichment was mainly biological processes
including oxidative stress
lipopolysaccharide response and bacteriogenic molecule
etc. The KEGG pathway mainly involved PI3 K-Akt
AGE-RAGE and TNF pathways
etc.; results of molecular docking showed that the binding forces of core compounds
such as phillyrin
stigmasterol
glabridin
pterocarpin and quercetin
was similar to that of clinically used anti-inflammatory drugs
among which phillyrin was the strongest. CONCLUSIONS: Liangge Powder may act on targets and pathways of AKT1
IL-6
PI3 K-Akt and AGE-RAGE through various active ingredients such as phillyrin and and quercetin
and exert therapeutic effects on ALI in terms of anti-inflammatory