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- Title
Molecular mechanism of Codonopsis pilosula in the prevention and treatment of immune thrombocytopenia based on network pharmacology and molecular docking.
- Authors
ZHU Ruifang; CHEN Yulu; WANG Qian; ZHANG Jun; ZHANG Shuwen; LYU Yaru; HAN Shifan; WANG Hongwei
- Abstract
Objective: To preliminarily elucidate the molecular mechanism of Codonopsis pilosula in the treatment of immune thrombocytopenia (ITP) through network pharmacology, differential gene analysis, and molecular docking. Methods: The main components and corresponding protein targets of Codonopsis pilosula were searched in the TCMSP, TCMID and ETCM. The targets of ITP were collected from the GeneCards, OMIM, and DisGeNET databases. A Venn diagram was constructed to obtain the intersection targets between the compound targets and disease targets, and the qualified targets were imported into the STRING database. The PPI network was constructed using Cytoscape 3.9.1. Subsequently, GO and KEGG enrichment analyses were performed on the intersection targets to explore the relevant signaling pathways of ITP and Codonopsis pilosula. Finally, molecular docking studies were conducted on the key targets and active compounds. Results: A total of 84 potential active compounds,2 354 ITP related targets, 257 interaction targets, and 86 intersection targets of Codonopsis pilosula were collected. Through PPI network analysis, 15 key targets were identified, with the top five targets ranked by Degree values including VEGFA, SRC, IL2, PPARG, and EGFR. GO and KEGG analyses indicated that Codonopsis s treatment of ITP mainly involves biological processes such as positive regulation of the ERK1 and ERK2 cascade, signal transduction, and protein phosphorylation. The signaling pathways mainly include the PI3K.-AKT, cancer, and T-cell signaling pathways. Molecular docking results showed that SRC and PPARG exhibited high binding activity with 1-hydroxyrankinidine. Myristic acid, ethyl α-d-fructofuranoside, and glycitein are important active compounds and were verified through molecular docking simulations. Conclusion: This study clarifies from multiple perspectives that Codonopsis pilosula may exert therapeutic effects on ITP by regulating multiple targets and pathways, providing a scientific basis for further investigating the effects of Codonopsis pilosula on ITP.
- Subjects
COMPUTER-assisted molecular modeling; VASCULAR endothelial growth factors; PHOSPHORYLATION; PHARMACEUTICAL chemistry; PHYTOCHEMICALS; CELLULAR signal transduction; GENE expression; MEDICINAL plants; MOLECULAR structure; THROMBOPENIC purpura; EPIDERMAL growth factor receptors; INTERLEUKINS; BIOMARKERS
- Publication
Chinese Nursing Research, 2024, Vol 38, Issue 9, p1505
- ISSN
1009-6493
- Publication type
Academic Journal
- DOI
10.12102/j.issn.1009-6493.2024.09.001