Mechanism of Action and Target Detection of Danshen & Hawthorn in the Treatment of Non-Alcoholic Fatty Liver Disease Based on Network Pharmacology and Virtual Docking Simulation

Key Points

• The research aims to uncover how Danshen and Hawthorn treat non-alcoholic fatty liver disease and identify their molecular targets.
• Used network pharmacology to identify active ingredients and targets of Danshen and Hawthorn.
• Constructed a herb-ingredient-target network for insight into potential interactions.
• Conducted KEGG pathway analysis to explore therapeutic mechanisms.
• Validated findings through in vitro cellular models and in vivo zebrafish models.
• Performed virtual docking simulations to pinpoint key amino acid residues for binding.
• Identified several key signaling pathways, including IL-17, TNF, and PPAR for therapeutic action.
• Herbal extract showed significant alleviation of high-fat-induced liver damage in models.
• Key binding residues were determined for specific compounds, crucial for understanding their interactions.