Exploration on the Medication Rules and Mechanism of Chinese Herbal Compound in the Treatment of Depression Based on Data Mining and Network Pharmacology
10.13359/j.cnki.gzxbtcm.2024.10.040
- VernacularTitle:基于数据挖掘和网络药理学探讨中药复方治疗抑郁症的用药规律与作用机制
- Author:
Qian-Yin XUE
1
;
Yi ZHANG
;
Guo-Hui LI
;
Ming-Jia ZHANG
;
Hai-Qing AO
Author Information
1. 广州中医药大学公共卫生与管理学院,广东广州 510006
- Keywords:
Chinese herbal compound;
depression;
core Chinese medicine;
Bupleuri Radix;
Paeoniae Radix Alba;
Curcumae Radix;
data mining;
network pharmacology;
molecular docking
- From:
Journal of Guangzhou University of Traditional Chinese Medicine
2024;41(10):2804-2814
- CountryChina
- Language:Chinese
-
Abstract:
Objective To explore the core drugs and antidepressant molecular mechanisms of Chinese herbal compound in the clinical treatment of depression.Methods Relevant literature was searched through CNKI,Wanfang and VIP to screen and sort out the Chinese Herbal compounds used in clinical practice.By analyzing the frequency of medication and the association rules of Chinese medicines,Bupleuri Radix,Paeoniae Radix Alba,Curcumae Radix were determined as the core Chinese medicinals for the treatment of depression.The active components and target proteins of these drugs were screened by TCMSP database,and depression-related targets were obtained from TTD,OMIM,DrugBank and GeneCards.Protein-protein interaction(PPI)network and'core drug-active ingredient-intersection target'network were constructed by STRING and Cytoscape.Gene Ontology(GO)enrichment and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis were performed by Metascape.Molecular docking analysis used RCSB database,AutoDockTools and PyMOL to verify the binding activity of key active components with core targets.Results The drugs for the treatment of depression in clinical Chinese herbal compound prescriptions were mainly cold,sweet,bitter and pungent,and the liver meridian was the first.Bupleuri Radix,Paeoniae Radix Alba,Curcumae Radix had the highest frequency of medication,and the combination of"Paeoniae Radix Alba-Bupleuri Radix"and"Curcumae Radix-Paeoniae Radix Alba-Bupleuri Radix"had the highest support.In the PPI network,SLC6A4,AKT1 and CHRNA4 were the key targets.GO enrichment analysis results showed that core drugs play a role in synaptic membranes and other parts through biological processes such as chemical synaptic transmission,as well as molecular functions such as G protein-coupled receptor activity.KEGG pathway enrichment analysis results showed that core drugs may treat depression through neuroactive ligand-receptor interaction,calcium signaling pathway and other pathways.Molecular docking confirmed that there was a strong binding activity between the key active ingredients and the core target.Conclusion Bupleuri Radix,Paeoniae Radix Alba,Curcumae Radix are the core drugs for clinical treatment of depression,which can treat depression through multi-component,multi-target and multi-pathway.
