Abstract | BACKGROUND: METHODS: Gaining insight into the molecular mechanism of Triptolide intervention CTD-ILD, we used the method of network pharmacology. And then we conducted drug-target networks to analyse the potential protein targets between Triptolide and CTD-ILD. Finally, AutoDock Vina was selected for molecular docking. RESULTS: By analysing the interaction genes between Triptolide and 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 multiple signalling pathways were involved. PI3K-Akt, multiple virus infections, cancer signalling, chemokine, and apoptosis signalling pathway are the main pathways for Triptolide intervention CTD-ILD. And it is 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 bond by intermolecular force. CONCLUSIONS: This study preliminarily reveals the internal molecular mechanism of Triptolide interfere with CTD-ILD through multiple targets, multiple access, validated through molecular docking.KEY MESSAGESTriptolide intervention CTD-ILD, which are related to various biological processes such as inflammation, infection, cell apoptosis, and cancer.PI3K-Akt, multiple virus infections, and apoptosis signalling pathway are the main pathways for Triptolide intervention CTD-ILD.Triptolide can bind with related target protein in a good bond by Intermolecular force, exhibiting a good docking activity.
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Authors | Wen Zhu, Yehui Li, Junjie Zhao, Yifan Wang, Yixi Li, Yue Wang |
Journal | Annals of medicine
(Ann Med)
Vol. 54
Issue 1
Pg. 541-552
(Dec 2022)
ISSN: 1365-2060 [Electronic] England |
PMID | 35132912
(Publication Type: Journal Article, Research Support, Non-U.S. Gov't)
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Chemical References |
- Diterpenes
- Drugs, Chinese Herbal
- Epoxy Compounds
- Phenanthrenes
- triptolide
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Topics |
- Connective Tissue Diseases
- Diterpenes
- Drugs, Chinese Herbal
(pharmacology, therapeutic use)
- Epoxy Compounds
- Humans
- Lung Diseases, Interstitial
(drug therapy)
- Molecular Docking Simulation
- Network Pharmacology
- Phenanthrenes
- Phosphatidylinositol 3-Kinases
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