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Article Abstract
Objective: To explore the efficacy and mechanism of Coix seeds in treating herpes zoster (HZ) using an integrated computational approach.
Methods: Network pharmacology, molecular docking, and machine learning were employed. Disease-related targets were collected from multiple databases, and intersection targets with Coix seed were analyzed via PPI, GO, and KEGG enrichment. A "TCM-Ingredient-Target" network was constructed using Cytoscape. Molecular docking and dynamics simulations were performed for validation.
Results: Fifty-five overlapping targets were identified, with core targets including , EGF, and . Enrichment analysis revealed key pathways such as inflammation and immune regulation. Molecular docking confirmed strong binding affinity between active compounds and targets.
Conclusions: This study demonstrates that Coix seed exerts anti-HZ effects through multi-target mechanisms, providing a theoretical basis for developing novel multi-pathway treatment strategies.
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| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC12110816 | PMC |
| http://dx.doi.org/10.3390/genes16050580 | DOI Listing |
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