Artif Cells Nanomed Biotechnol. 2026 Dec;54(1):245-263. doi: 10.1080/21691401.2026.2640825. Epub 2026 Mar 17.
ABSTRACT
This research employs an integrated approach combining network pharmacology and molecular docking to assess the therapeutic potential of a Heat-Clearing and Dampness-Eliminating Formula alongside gut microbiota (GM) metabolites in the management of Behçet's disease (BD). Active constituents of the formula and GM-derived metabolites were sourced from specialized databases including TCMSP, SwissTargetPrediction, PubChem, and gutMGene. Disease-associated targets for BD and metabolite-related targets were compiled using publicly available datasets. Through protein-protein interaction (PPI) network construction and KEGG enrichment analysis, pivotal targets and major signalling pathways implicated in BD pathology were identified. Molecular docking simulations further assessed the binding interactions between active metabolites and target proteins, corroborating the predictions derived from network pharmacology. Further experimental validation using in vitro and in vivo models is warranted to substantiate these computational insights.
PMID:41842705 | DOI:10.1080/21691401.2026.2640825