Decoding Anti-Colitis Components of Salvia miltiorrhiza Bunge: A Systems Pharmacology Approach Combining Microarray Profiling and Computational Validation

Current ulcerative colitis (UC) therapies (aminosalicylic acid, glucocorticoids) face limitations due to adverse effects and recurrence. Salvia miltiorrhiza Bunge (S. miltiorrhiza), a traditional Chinese herb, shows UC therapeutic potential, though its mechanisms remain unclear. Through multi-omics integration (GEO, TCMSP, UniProt), we identified 65 bioactive components (e.g., luteolin, tanshinaldehyde) and 392 UC-associated DEGs. Network analysis (Cytoscape/CytoHubba) revealed hub targets (STAT3, HSP90AA1, ESR1) and key pathways (lipid metabolism, EGFR resistance). Molecular docking demonstrated strong binding between five components and twelve targets (-9.6 to -7.4 kcal/mol), involving residues Lys58, Thr184, and Asn51. Molecular dynamics confirmed stable complexes (HSP90AA1/ESR1-ligands, RMSD: 1.2–2.5 nm). This systems pharmacology approach deciphers S. miltiorrhiza's anti-UC mechanisms, providing a foundation for targeted drug development.