Exploring Medication Rules and Mechanism of Action of Chinese Medicine in Treating Psychocardiological Disease Based on Data Mining and Network Pharmacology
Abstract: Objective: To explore the medication rules and mechanisms of Chinese medicine in treating psychocardiological disease based on data mining and network pharmacology. Methods:Clinical research literatures on Chinese medicine prescriptions for psychocardiological disease published in CNKI, Wanfang Database, and VIP Database from the database establishment day to December 2023 were retrieved. A literature database was established, and Excel 2021, IBM SPSS Modeler 18.0, and IBM SPSS Statistics 27.0.1 were used for frequency analysis, association rule mining,and cluster analysis of the Chinese herbs. Network pharmacology was applied to investigate the key targets of the core herbal combination, Bupleuri Radix-Curcumae Radix-Glycyrrhizae Radix et Rhizoma, in treating psychocardiological disease. A protein-protein interaction (PPI) network was constructed, and Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analyses were performed. AutoDockTools 1.5.7 and PyMol 2.6.0 were utilized for molecular docking verification and visualization. Results: A total of 155 Chinese medicine prescriptions involving 126 Chinese herbs were included,with 19 high-frequency herbs. Among them, Glycyrrhizae Radix et Rhizoma, Bupleuri Radix, Salviae Miltiorrhizae Radix et Rhizoma, Curcumae Radix,and Chuanxiong Rhizoma were most frequently used. The Chinese herbs were primarily classified as deficiencysupplementing herbs,qi-regulating herbs,and blood-invigorating and stasis-resolving herbs. The herbal flavors were mainly sweet, bitter, and neutral, with warm nature being dominant, and they mainly entry the liver and heart channels. Association rule analysis yielded 15 herbal combinations with high association strength. Cluster analysis identified four herbal combinations. The core herb combination,Bupleuri Radix-Curcumae Radix-Glycyrrhizae Radix et Rhizoma,had 191 key targets and 206 important pathways for the treatment of psychocardiological disease. AKT1, TNF, IL-6, TP53, and IL-1β were core targets, and pathways such as lipid and atherosclerosis, PI3K-Akt signaling pathway, and neurodegenerative diseases were major pathways. Molecular docking results showed good binding between core components and targets. Conclusion:Chinese medicine treatment for psychocardiological disease focuses on soothing the liver and resolving depression. Medications are mainly combined with blood-invigorating and stasis-resolving herbs, qi-regulating herbs, and deficiency-supplementing herbs. The core herbal pair, Bupleuri Radix-Curcumae Radix-Glycyrrhizae Radix et Rhizoma,exhibits multi-component,multi-target,and multi-pathway therapeutic characteristics,primarily exerting its therapeutic effects on psychocardiological disease through mechanisms such as anti-inflammatory,anti-oxidative apoptosis,and cardiocerebrocyte protection.