Objective: To explore the possible molecular mechanism of terrestrosin D in the treatment of pulmonary fibrosis by network pharmacology and molecular docking technology. Methods: SwissTargetPrediction database was used to collect the terrestrosin D targets, and the corresponding targets protein names were standardized by UniProt database. Disease targets were obtained by searching "Pulmonary fibrosis" in DrugBank database, GeneCards database and OMIM database, and common targets of terrestrosin D and pulmonary fibrosis were obtained by Venn diagram. PPI network analysis, GO functional enrichment analysis and KEGG pathway analysis were performed. The binding ability of terrestrosin D to the core target was verified by molecular docking technique. Results: 43 potential targets of terrestrosin D, 1492 related targets of pulmonary fibrosis, 17 common targets of terrestrosin D and pulmonary fibrosis were obtained. The top 8 targets in PPI network were MAPK3, PPARG, IL6, TNF, VEGFA, TGFβ1, FGF2 and STAT3. GO functional enrichment annotation obtained 418 items of biological process (BP), 22 items of cell composition (CC) and 29 items of molecular function (MF). KEGG pathway analysis revealed 69 signaling pathways. Molecular docking showed that the binding energies of MAPK3, FGF2, STAT3, IL6, PPARG and terrestrosin D were all ≤-5.0 kcal/mol. Conclusion: Terrestrosin D exerts its biological activity in the treatment of pulmonary fibrosis through multi-target and multi-pathway effects, and it may regulate MAPK signaling pathway and PI3K-Akt signaling pathway through MAPK3, FGF2, STAT3, IL6 and PPARG.
YANG Xuemiao
,
BO Yukun
,
YANG Dan
,
ZHANG Shuning
,
GUO Boyu
,
AN Ming
. Mechanism of tribulus terrestrosin D in treatment of pulmonary fibrosis based on network pharmacology and molecular docking[J]. Journal of Baotou Medical College, 2022
, 38(12)
: 67
-75
.
DOI: 10.16833/j.cnki.jbmc.2022.12.014
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