Exploring the Mechanisms of the Traditional Herbal Formula Sanshen Dan Against Myocardial Ischemia-Reperfusion Injury: An Integrated Strategy Combining Serum Pharmacochemistry, Network Pharmacology, a
4 hours ago
- #Molecular Docking
- #Network Pharmacology
- #Traditional Chinese Medicine
- Sanshen Dan (SSD), a traditional Chinese medicine, was studied for its protective effects against myocardial ischemia-reperfusion injury (MIRI).
- Using serum pharmacochemistry, 44 active blood-absorbed components (e.g., flavonoids, saponins) from SSD were identified via UHPLC-MS/MS.
- Network pharmacology identified 392 potential therapeutic targets, enriched in apoptosis, HIF-1, TNF-α, and cAMP signaling pathways.
- Machine learning algorithms (random forest, SVM-RFE, LASSO) highlighted Mmp14, Htr2b, and Ctnnb1 as core targets, with strong predictive accuracy.
- Molecular docking and dynamics simulations showed that core components like Kaempferide-4'-methyl ether-3-glucoside bind stably to core targets, with high binding free energy.
- The findings suggest SSD works through a multi-component, multi-target, multi-pathway approach, offering a scientific basis for its clinical use.