Analysis of the Mechanism of Fuling Guizhi Gancao Dazao Decoction in the Treatment of Different Diseases with the Same Method for Anxiety Disorders,Arrhythmias,and Irritable Bowel Syndrome Based on Network Pharmacology and Molecular Docking Technology
Abstract: Objective: To analyze the potential targets and mechanism of action of Fuling Guizhi Gancao Dazao Decoction in the treatment of different diseases with the same method for anxiety disorders,arrhythmias,and irritable bowel syndrome based on network pharmacology and molecular docking techniques. Methods: Active ingredients of Poria, Cinnamomi Ramulus, Glycyrrhizae Radix et Rhizoma, and Jujubae Fructus in the decoction were screened using the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP),and targets were predicted using SwissTargetPrediction. Targets related to anxiety disorders, arrhythmias, and irritable bowel syndrome were obtained from the Human Gene Database (GeneCards) and Online Mendelian Inheritance in Man (OMIM) databases. Common targets were identified using a Venn diagram. A protein-protein interaction (PPI) network was constructed, and core targets were screened. Gene Ontology (GO) function and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analyses were performed using the Database for Annotation, Visualization,and Integrated Discovery (DAVID). Finally,molecular docking was conducted to validate the binding between core ingredients and key targets. Results: A total of 146 active ingredients and 257 predicted targets were identified in Fuling Guizhi Gancao Dazao Decoction. A total of 2 929, 649, and 2 973 targets related to the anxiety disorders,arrhythmias,and irritable bowel syndrome were obtained,respectively,with 43 common targets associated with the decoction. PPI network analysis revealed that interleukin (IL)-6,AKT serine / threonine kinase 1 (AKT1), and tumor necrosis factor (TNF) and other core targets were identified. The main active ingredients were identified as quercetin, naringenin, kaempferol, licochalcone A, and β-carotene. GO functional enrichment involved processes such as regulation of gene expression and cellular response to reactive oxygen species. KEGG pathway enrichment mainly included the advanced glycation end product-receptor for advanced glycation end product (AGE-RAGE) signaling pathway and the IL-17 signaling pathway in diabetic complications. Molecular docking results showed that core ingredients such as quercetin with TNF, and naringenin with AKT1 exhibited good binding activity. Conclusion: Fuling Guizhi Gancao Dazao Decoction may act on core targets such as IL-6, AKT1, and TNF through active ingredients including quercetin and naringenin,thereby regulating signaling pathways such as AGE-RAGE and IL-17, to treat different diseases with the same method for anxiety disorders,arrhythmias,and irritable bowel syndrome.