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Based On Network Pharmacology And Molecular Docking To Explore The Molecular Mechanism Of Bushen Yijing Prescription Intervention In Diabetic Osteoporosis

Posted on:2024-01-02Degree:MasterType:Thesis
Country:ChinaCandidate:J WangFull Text:PDF
GTID:2544307151999379Subject:Integrative Medicine
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Objective: Based on the network pharmacology and molecular docking method,to analyze the molecular mechanism of Bushen Yijing prescription intervention in diabetic osteoporosis,and to provide the basis for its basic research and clinical application.Methods: The active ingredients of 10 traditional Chinese medicines in Bushen Yijing Prescription were screened through the TCMSP database,and the unpredicted active compounds were supplemented according to the published literature on drug-related ingredients and the BATMAN-TCM and Drug Bank databases.To predict the corresponding targets of the components of Bushen Yijing Formula,a network diagram of "Bushen Yijing Formula-Active Ingredients-Targets" was constructed by Cytoscape3.9.1 software.The Gene Cards and OMIM databases were used to screen the target proteins of diabetic osteoporosis,and the Bioinformatics platform was used to map the intersected target proteins to draw a Venn diagram.The String database and Cytoscape3.9.1 software were used to construct the PPI network of the target protein,and the core targets were screened.The Metascape platform analyzed the participating biological processes and related signaling pathways,and used Cytoscape 3.9.1 software to construct a network map of "Bushen Yijing Prescription-Disease Targets for Diabetic Osteoporosis-Pathways".Finally,Auto Dock Vina was used for molecular docking verification of key targets and active ingredients.Results: There were 79 active components in the Bushen Yijing prescription,and 68 were deleted after repeated values were deleted.Among them,the chemical components of Eucommia ulmoides,Lycium barbarum,and Chinese yam played a more prominent role in the Bushen Yijing recipe.It is speculated that norepinephrine B,Quercetin,kaempferol,isorhamnetin,and luteolin may be the main components of Bushen Yijing prescription in treating diabetic osteoporosis.1267 potential disease targets were obtained,and there were 197 drug-disease intersection targets.After PPI network analysis,key molecular targets such as SRC,STAT3,HSP90AA1,MAPK3,MAPK1,and PIK3R1 were obtained,and it was speculated that they may be the key targets for Bushen Yijing Fang to intervene in diabetic osteoporosis,mainly involved in hormone response,cell Responses to external stimuli,responses to inorganic substances,positive regulation of phosphorylation,regulation of hormone levels and other biological processes mainly involve AMPK signaling pathways,calcium signaling pathways,insulin resistance and other pathways.At the same time,molecular docking verified that SRC,STAT3,MAPK3,and PIK3R1 had strong binding abilities to quercetin,luteolin,kaempferol,isorhamnetin,and norepinephrine B.Conclusion: The multi-component,multi-target,and multi-pathway characteristics of Bushen Yijing Formula are confirmed by network pharmacology methods,and it is predicted that it may participate in the regulation of hormone responses and responses to extracellular stimuli through AMPK signaling pathways,calcium signaling pathways,and other pathways,the response to inorganic substances,the positive regulation of phosphorylation,the regulation of hormone levels and other biological processes to intervene in the possible mechanism of diabetic osteoporosis.
Keywords/Search Tags:Network Pharmacology, Bushen Yijing Prescription, Diabetic Osteoporosis, Molecular dockin
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