Investigation on the Mechanism of Guizhi Fuling Pill in Treating Encephalopathy with"Treating Different Diseases with Same Method"Based on Network Pharmacology and Molecular Docking
10.16466/j.issn1005-5509.2024.05.016
- VernacularTitle:基于网络药理学和分子对接探讨桂枝茯苓丸"异病同治"脑病的作用机制
- Author:
Jiayi XIE
1
;
Juwei WANG
;
Yue JIANG
Author Information
1. 浙江中医药大学附属温州市中医院 浙江,温州 325000
- Keywords:
Guizhi Fuling Pill;
encephalopathy;
treating different diseases with same method;
network pharmacology;
molecular docking;
paeonol;
lipid and atherosclerosis
- From:
Journal of Zhejiang Chinese Medical University
2024;48(5):609-620
- CountryChina
- Language:Chinese
-
Abstract:
[Objective]To explore the mechanism of Guizhi Fuling Pill's treating ischemic stroke(IS),subarachnoid hemorrhage(SAH),mild cognitive impairment(MCI),insomnia disorder(ID),epilepsy(EP)and vascular headaches through"treating different diseases with the same method",by using network pharmacology and molecular docking.[Methods]The active components and targets of Guizhi Fuling Pill were screened out and obtained from Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP),Swiss Target Prediction database and PubChem platform.The targets of disease were searched from DrugBank,Disease Gene Network(DisGeNET),Genome Annotation Database Platform(GeneCards)and Online Mendelian Inheritance in Man(OMIM).Then the common targets of drug-disease were obtained,Cytoscape 3.9.1 software was used to construct a"drug-disease-component-target"network and protein-protein interaction(PPI)network.Gene ontology(GO)function enrichment and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis of common targets were carried out by Metascape database.AutoDock Vina software was used to verify the molecular docking of core components and key targets.[Results]After screening and deleting duplicates,155 core active ingredients of Guizhi Fuling Pill,672 related targets,196 disease targets and 78 drug-disease common targets were obtained.There were 5 core active ingredients in Guizhi Fuling Pill's"treating different diseases with the same method"for encephalopathy,which were paeonol,quercetin,paeoniflorin,cinnamaldehyde and amygdalin.There were 5 key targets obtained by PPI screening which were interleukin-6(IL6),tumor necrosis factor(TNF),insulin(INS),RAC-alpha serine/threonine-protein kinase(AKT1),interleukin-1 beta(IL1B).KEGG pathway enrichment analysis showed that the key pathways were lipid and atherosclerosis,fluid shear stress and atherosclerosis,pathways in cancer,advanced glycation end products-receptor of advanced glycation end products(AGEs-RAGE)signaling pathway in diabetic complications,Alzheimer's disease and pathways of neurodegeneration-multiple diseases.The molecular docking results showed that the key targets had good binding activity to the core active components.[Conclusion]The possible mechanism of multi-component,multi-target and multi-pathway of Guizhi Fuling Pill's treating encephalopathy through"treating different diseases with the same method"was expounded,which provided a theoretical basis and reference for further understanding the mechanism of Guizhi Fuling Pill and exploring new clinical application and experimental exploration.
