Analysis of Multi-Target Synergistic Mechanism of Babao Yizhi Prescription in Improving Alzheimer's Disease Based on Network Pharmacology and Molecular Docking Technology
Abstract:Objective:To analyze the mechanism of action of Babao Yizhi Prescription in preventing and treating Alzheimer's disease (AD) using network pharmacology and molecular docking technology. Methods: The active components of the eight Chinese herbs in Babao Yizhi Prescription were obtained from TCMSP, ETCM, and HERB databases. Their potential targets were predicted via the Swiss Target Prediction platform, and standardized using the UniProt database. Gene targets related to AD were retrieved from GeneCards, OMIM, and TTD databases. Common targets were identified using a Venn diagram. A protein-protein interaction (PPI) network was constructed and visualized using the STRING platform and Cytoscape software. KEGG pathway enrichment analysis and GO functional enrichment analysis were performed using the Weishengxin Online Bioinformatics platform,and molecular docking was conducted with AutoDock Tools 1.5.7. Results:A total of 194 active components of Babao Yizhi Prescription acted on 1 071 protein target genes. After matching with 1 625 AD-related target genes,250 potential intersection targets were obtained. The PPI network contained 53 nodes and 979 edges. The key active components of Babao Yizhi Prescription for AD treatment included 3,4,5-trimethoxycinnamic acid, ginsenoside-Rh4_qt, kaempferol, and przewal quinone C. The core targets were AKT1, TP53, IL6, TNF, and IL1β. KEGG analysis identified 183 pathways, while GO analysis yielded 890 biological processes,115 cellular components,and 204 molecular functions. Molecular docking results showed that the binding energies between all key active components and core targets were less than -5 kcal/mol. Conclusion: The main components of Babao Yizhi Prescription improve AD through multiple pathways by acting on targets such as AKT1,TP53,IL6,TNF,and IL1β. This study provides a scientific basis and research ideas for the clinical application of Chinese herbal compounds in improving AD.