Exploring the mechanism of anti anxiety effect of Shen-Qi-Wu-Wei-Zi (Shenqi Schisandra chinensis) based on network pharmacology and molecular docking
10.3760/cma.j.cn431274-20230427-00577
- VernacularTitle:基于网络药理学和分子对接探索参芪五味子抗焦虑的作用机制
- Author:
Ce ZHANG
1
;
Qian HUA
;
Shuo CHENG
;
Chengeng DENG
;
Qingyuan CAI
;
Xiaoge LIU
;
Yan TAN
Author Information
1. 北京中医药大学中医学院，北京 102488
- Keywords:
Anxiety disorders;
Shen Qi Wu Wei Zi;
Network pharmacology;
Molecular docking
- From:
Journal of Chinese Physician
2024;26(4):523-528
- CountryChina
- Language:Chinese
-
Abstract:
Objective:To explore the mechanism of anti anxiety (AD) effect of Shenqi Schisandra chinensis using network pharmacology and molecular docking technology.Methods:The main active ingredients of S-Q-W-W-Z (Shenqi Schisandra chinensis) were screened through the TCMSP database. The corresponding targets of the active ingredients were obtained through the TCMSP database and SymMap database. The drug active ingredient target relationship network was visualized using Cytoscape. Utilize TTD, OMIM, NCBI, Drugbank, and GeneCards databases to directly identify potential targets for anxiety. We constructed interaction diagrams of potential targets based on the String database, and used Cytoscape tool to obtain key target proteins. Gene ontology (GO) enrichment analysis and Tokyo Encyclopedia of Genomes (KEGG) signaling pathway analysis were used to identify key targets and signaling pathways for anti anxiety effects of Schisandra chinensis. AutodockTools software was used to perform molecular docking on key active ingredients and key target proteins, and their binding energies were calculated. The molecular docking results were visualized using PyMol software.Results:The 63 effective ingredients in Shen-Qi-Wu-Wei-Zi (Shenqi Schisandra chinensis) can act on anxiety disorder through 69 targets. Among them, quercetin, luteolin, and stigmasterol are the main active ingredients, and serine threonine protein kinase 1 (AKT1) protein and interleukin-6 (IL-6) protein are key target proteins. Molecular docking technology has verified the good binding ability between these key active ingredients and key target proteins. Shenqi Schisandra mainly exerted therapeutic effects on anxiety disorders by regulating Toll like receptor signaling pathways, tumor necrosis factor (TNF) signaling pathways, cancer pathways, and other pathways.Conclusions:The Shenqi Schisandra may exert anti anxiety effects by regulating related targets such as AKT1 and IL-6, regulating inflammatory reactions, cell apoptosis, and other processes.
