The mechanism of triptolide in the treatment of connective tissue disease-related interstitial lung disease using network pharmacology and molecular docking

Background: Interstitial lung disease(ILD) is associated with substantial morbidity and mortality, which is one of key systematic manifestations of connective tissue disease (CTD). Tripterygium wilfordii, known as Leigongteng in Chinese, has been applied to treat connective tissue disease-related interstitial lung disease (CTD-ILD) for many years. Methods Triptolide is key effective components from Tripterygium wilfordii. But the molecular mechanism of Triptolide for treating CTD-ILD is not yet clear. Gain insight into the molecular mechanism of Triptolide intervene CTD-ILD, we used the method of network pharmacology. And then we conducted an drug-target networks to analysis potential protein targets between Triptolide and CTD-ILD. Finally, AutoDock Vina was selected for molecular docking. Results By analysis the interaction genes of Triptolide with CTD-ILD, 242 genes were obtained. The top 10 targets of the highest enrichment scores were STAT3, AKT1, MAPK1, IL6, TP53, MAPK3, RELA, TNF, JUN, JAK2. GO and KEGG enrichment analysis exhibited that mutiple signaling pathway were involved. PI3K-Akt, multiple virus infection, cancer signaling, chemokine and apoptosis signaling pathway are the main pathways for Triptolide intervention CTD-ILD, which are related to various biological processes such as inflammation, infection, cell apoptosis and cancer. Molecular docking shows Triptolide can bind with its target protein in a good bonds by Intermolecular force. Conclusions This study preliminarily reveals the internal molecular mechanism of Triptolide can interfere CTD-ILD through multiple targets, multiple access, validated through molecular docking. Provided a research basis for the following study of pathogenesis in Triptolide treatment CTD-ILD.