YANG Haojie, CAO Fang, GU Xiaofeng, et al. The Mechanism of Qiyin Sanliangsan(芪银三两三) in the Treatment of Idiopathic Pulmonary Fibrosis based on Network Pharmacology and Molecular Docking[J]. Journal of Traditional Chinese Medicine2021, 62(14): 1253-1258.
YANG Haojie, CAO Fang, GU Xiaofeng, et al. The Mechanism of Qiyin Sanliangsan(芪银三两三) in the Treatment of Idiopathic Pulmonary Fibrosis based on Network Pharmacology and Molecular Docking[J]. Journal of Traditional Chinese Medicine2021, 62(14): 1253-1258.DOI: 10.13288/j.11-2166/r.2021.14.013.
Objective To explore the possible mechanism of the experienced formula Qiyin Sanliangsan(芪银三两三
QYSLS) in the treatment of idiopathic pulmonary fibrosis(IPF). Methods The TCMSP
GeneCards
NCBI
OMIM databases were searched for active components and action targets of QYSLS and disease targets of IPF; the drug component targets and disease targets were intersected; the STRING database
Cytoscape 3.8.0 software and related plug-ins were used to construct a protein protein interaction(PPI) network; key components were screened; the Database for Annotation
Visualization and Integrated Discovery(DAVID) was used to perform gene ontology(GO) enrichment analysis on core targets
and kyoto encyclopedia of genes and genomes(KEGG) pathway enrichment analysis; the molecular docking technology was used to verify the core target of QYSLS on IPF. Results A total of 147 active components of QYSLS were screened
as well as 664 target points and 1897 IPF-related genes; 141 targets obtained by intersecting drug component targets and IPF disease targets were used to construct a PPI network
and through topology and cluster analysis
STAT3
AKT1
JUN
IL6
MAPK3
SPP1
CASP8
IL1 B
UGT1 A1 and other key targets were gained. GO analysis showed that the action mechanism of QYSLS in the treatment of IPF was involved with the processes such as nutrient induction
oxidative stress
chemical stress
and oxygen perception. The KEGG enrichment pathway was dominated by viral infection-related pathways
inflammation-related pathways and other disease pathways. Molecular docking result showed that the blinding energy of key targets STAT3
AKT1
JUN with quercetin and luteolin was ≤-5.0 Kcal/mol
suggesting good blinding ability. Conclusion The effects of QYSLS on IPF may relate to the action on key targets such as STAT3
AKT1
JUN
and IL6 by regulating signaling pathways related to inflammation