ACTA NEUROPHARMACOLOGICA ›› 2024, Vol. 14 ›› Issue (3): 36-.DOI: 10.3969/j.issn.2095-1396.2024.03.005

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Exploring the Mechanism of Ganmai Dazao Decoction in Treating Cardiac Neurosis Based on Network Pharmacology and Molecular Docking

HAO Sheng-jie, DU Yu-xin, LU Shang-kai, HUANG Shi-jie, WANG Hui, WANG Bing-jie, ZHAO Bo, LI Meng-wei, LI Qian   

  1. Gansu Agricultural University, Lanzhou, 730070, China
  • Online:2024-06-26 Published:2024-08-20

Abstract:

Objective:To investigate the mechanism of action of Ganmai Dazao Tang in the treatment of cardiac neurosis based on network pharmacology combined with molecular docking. Methods: We searched the Chinese Medicine System Pharmacology (TCMSP) database to obtain the target information of active ingredients, and mined the GeneCards database to construct disease targets. The STRING (https://string-db.org/) database was used to construct protein-protein interaction (PPI) network models, which were visualized and analyzed with Cytoscape 3.8.2. The online analysis platform DAVID v6.8 was used to perform Kyoto Encyclopedia of Genes and Genomes (KEGG) signaling pathway enrichment analysis and gene ontology (GO) enrichment analysis on the key targets. KEGG signaling pathway and GO enrichment analysis were mapped using R package. Molecular docking was accomplished using AutoDock Vina, Pymol 2.0.1, and Openbable 3.1.1. Results: A total of 107 active ingredients including quercetin, lignans, kaempferol, naringenin, isorhamnetin and other biologically important components acted on 203 potential targets for disease drug therapy including STAT3, JUN, TNF, TPT53, AKT1, EGFR. And it was widely enriched in a series of signaling pathways of TNF, HIF-1 and Toll-like receptor, and the core active ingredients were also tightly bound to the core targets. Conclusion: Flavonoids, triterpenoids and phenols in Ganmai Dazao Tang can stably bind to the disease targets of cardiac neurosis, which further confirmed that the formula treats functional disorders, dirty agitation, depression and anxiety through multi-components, multitargets and multi-pathways, which provides scientific basis and reference for the treatment of cardiac neurosis by traditional Chinese medicine.

Key words: traditional Chinese medicine, network pharmacology, molecular docking, Ganmai Dazao Decoction, neurosis

CLC Number: