The Mechanism of Gualou Xiebai Banxia Decoction for Treating Coronary Microvascular Disease and Hyperlipidemia by"Treating Different Diseases with Same Method"Based on Network Pharmacology and Molecular Docking
JU Tongtong
HU Jiqiang
Abstract：Objective:To explore the material basis and mechanism of Gualou Xiebai Banxia Decoction for treating coronary microvascular disease(CMVD)and hyperlipidemia(HLP)by"treating different diseases with same method"based on network pharmacology and molecular docking technology.Methods:The active ingredients and targets of Gualou Xiebai Banxia Decoction were obtained using the Traditional Chinese Medicine System Pharmacology Database and Analysis Platform(TCMSP).Query the relevant targets of CMVD,and HLP were screened by GeneCards and OMIM databases.The Venn map was constructed to obtain the common targets of Gualou Xiebai Banxia Decoction with CMVD and HLP.The network diagram of"Gualou Xiebai Banxia Decoction-active ingredients-common targets"was drawn by Cytoscape 3.10.0 software,and the core active ingredients were screened.The STRING database was used to construct the protein-protein interaction(PPI)network and to screen the core targets.The DAVID database was used to conduct gene ontology(GO)functional enrichment analysis and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis on common genes.The core active ingredients were analyzed for molecular docking with the core targets using the AutoDock Vina 1.5.7 software.Results:A total of 35 main active ingredients of Gualou Xiebai Banxia Decoction were obtained,and 30 core active ingredients such as stigmasterol,quercetin,baicalein and naringenin were screened out.Among the 83 common targets,32 core targets were screened out,mainly involving serine/threonine protein kinase(AKT1),interleukin-6(IL6),interleukin-1β(IL1 B),hypoxia-inducible factor-1 α(HIF1A),Caspase 3(CASP3).In GO analysis,the biological processes mainly included the response to long-wave ultraviolet(UV-A),the regulation of cardiac contractility by chemical signals,smooth muscle proliferation,the regulation of nitrogen utilization,and the positive regulation of fatty acid metabolism processes.The cellular components mainly included serine peptidase complexes,tyrosine kinase receptor complexes,serine protease inhibitor complexes,transcription factor activating protein-1(AP-1)complexes and Bcl-2 family protein complexes.The molecular functions mainly included nitric oxide synthase activity,tetrahydrobiopterin,estrogen response element binding,epidermal growth factor receptor 3(ErbB-3)receptor binding,and nitric oxide synthase modulator activity.The KEGG enrichment pathway mainly included to the cancer signaling pathway,the role of the advanced glycation end product-advanced glycation end product receptor(AGE-RAGE)signaling pathway in diabetic complications,the regulation of blood flow shear force in the atherosclerotic signaling pathway,the tumor necrosis factor signaling pathway,the lipid and atherosclerotic signaling pathway,and the hypoxia-inducible factor-1(HIF-1)signaling pathway.The results of molecular docking showed that the binding activities of the core active ingredients and the core target proteins were better,and the active ingredients showed some strong binding activity with the target proteins.Conclusion:Gualou Xiebai Banxia Decoction might play therapeutic effects on CMVD and HLP through multiple targets and multiple pathways.
Keywords：coronary microvascular diseasehyperlipidemiaGualou Xiebai Banxia Decoctionnetwork pharmacologytreating different diseases with same methodmolecular dockingmechanism
Publication Date：2025-07-25
Online Publishing Date：2025-08-15(First online date of this platform, not the publication date of the document)
Pages：11( 2081-2091 )