Predictive Analysis of Potential Functional Components in Mori Folium Based on Fingerprint and Network Pharmacology

Objective: To establish the high-performance liquid chromatography (HPLC) fingerprints of Mori Folium and predict its potential functional ingredients using network pharmacology and molecular docking approaches. Method: HPLC was utilized to create the fingerprint profile of Mori Folium, followed by similarity assessment and principal component analysis. A "component-target-pathway" network was then constructed employing network pharmacology, complemented by molecular docking for virtual validation. Results: The fingerprints of 13 batches of Mori Folium were established. Among the 13 common peaks, neochlorogenic acid (peak 1), chlorogenic acid (peak 3), cryptochlorogenic acid (peak 4), rutin (peak 6), isoquercitrin (peak 7), isochlorogenic acid B (peak 9), astragalin (peak 10), isochlorogenic acid A (peak 11), and isochlorogenic acid C (peak 12) were identified. Additionally, principal component analysis revealed that all 13 common peaks in Mori Folium could be utilized in the quality control process as characteristic chemical components. Network pharmacology predicted that isochlorogenic acid A, isochlorogenic acid B, isochlorogenic acid C, rutin, isoquercitrin, and astragalin could act as potential functional ingredients of Mori Folium, acting on seven key targets (TNF-α, CASP1, CASP3, CASP8, etc.) and regulating the lipid-atherosclerosis, cancer and serotonergic synapses signaling pathways, thereby exerting anti-aging, neuroprotective, and cardiovascular protective effects. The molecular docking results further demonstrated good binding interactions between these core components and the core targets. Conclusion: Utilizing HPLC fingerprinting and network pharmacology, this study has delineated the potential functional ingredients and their mechanisms of action in Mori Folium, establishing a foundation for its quality control and subsequent functional development.