| 摘要 |
[Objectives] To explore the action mechanism of Wuling Decoction (the combination of Wumei Pill and Wuling Powder) in treating Sjögren’s syndrome (SS) based on network pharmacology and molecular docking techniques. [Methods] The active components and their targets of Wuling Decoction were collected from the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP). The targets related to SS were obtained from the GeneCards database. The intersection targets between Wuling Decoction and SS were identified using the Venny platform. The "Chinese medicinal-active component-common target" network was constructed using Cytoscape. The potential targets were improted into STRING to establish the protein-protein interaction (PPI) network, and the topological parameters were evaluated using Cytoscape to determine the key targets. Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analyses were performed using the DAVID database. Molecular docking of core components and key targets was conducted using the CB-Dock2 online tool. [Results] Wuling Decoction contained 121 active components of Chinese medicinals and 190 related targets. There were 1 447 SS-related targets obtained from GeneCards databases.50 potential targets of Wuling decoction for SS were obtained. Network topology analysis revealed that quercetin, stigmasterol, and β-sitosterol were core components. PPI network analysis indicated that TNF, IL-6, and IL-1β were key targets. These targets were primarily involved in biological processes such as positive regulation of gene expression, inflammatory response, negative regulation of apoptosis, lipid and atherosclerosis pathways, AGE-RAGE signaling, fluid shear stress and atherosclerosis pathway, IL-17 signaling, and TNF signaling. Molecular docking demonstrated strong binding affinity between core components and targets, with stigmasterol exhibiting the highest binding activity. [Conclusions] Network pharmacology and clinical practice have demonstrated that Wuling Decoction exhibits remarkable efficacy and safety in the SS treatment. Through the synergistic effects of multiple components, multiple targets, and multiple pathways, it regulates immune, inflammatory, and endocrine signaling pathways, thereby improving the state of impaired triple-warmer qi transformation and fluid distribution. This provides both clinical and mechanistic evidence for treating the SS by TCM. |
