| Objective: Network pharmacology and molecular docking methods were used to reveal the mechanism of action of Suhexiang Wan and Angong Niuhuang Wan in the treatment of stroke.The molecular mechanisms of "cold and heat","different treatment of the same disease" and "same treatment of the same disease" in the treatment of stroke with Suhexiang Wan and Angong Niuhuang Wan were elucidated from the molecular level,and the adaptation of Suhexiang Wan and Angong Niuhuang Wan was speculated to provide a theoretical basis for the study and use of Suhexiang Wan and Angong Niuhuang Wan.Methods: The components of Suhexiang Wan and Angong Niuhuang Wan were collected by chemical information database and literature mining;potential active ingredients were obtained by oral utilization degree and drug resistance screening using TCMSP or Swiss ADME platform;the Swiss Target Prediction platform predicted the target of active ingredients and constructed a drug-active component-target network.The disease gene targets of stroke were obtained through Gene Cards,OMIM,and TTD platforms,and the drug targets and disease genes were intersected and set to obtain common targets.STRING and Cytoscape V3.8.2 software were used to construct target-disease gene PPI networks,screen key targets and core gene clusters,perform GO function and KEGG pathway enrichment analysis of key targets with the help of the Metascape platform,and map the selected core active ingredients and their targets into pathways to construct core active component-target-pathway networks.The core active ingredients with high correlation were screened for molecular docking using Auto Dock 4.2 with the action target,and the docking results were analyzed.Combined with the literature to elaborate the function of active ingredients and targets of action,molecular level analysis was performed at the level of network pharmacology to explore the mechanism of action and difference analysis of Suhexiang Wan and Angong Niuhuang Wan,and clinical observation and efficacy analysis and evaluation of Angong Niuhuang Wan were performed.Results: In the study of the mechanism of action of Angong Niuhuang Wan and Su He Xiang Wan in the treatment of stroke,it was found that there were differences in the compound composition drugs with common components,and a total of 174 active ingredients,214 Su He Xiang Wan,and 58 common active ingredients were screened from Angong Niuhuang Wan.30 targets Angong Niuhuang Wan,31 Su He Xiang Wan,with a high degree of similarity in the main targets of actionand,20 common targets were selected.GO function and KEGG pathway enrichment showed that the two compounds were involved in 10 biological processes,13 molecular functions,and 14 cellular components,and jointly regulated Pathways in cancer,AGE-RAGE signaling pathway in diabetic complications,Alzheimer disease,Rheumatoid arthritis,Bladder cancer,Transcriptional misregulation in cancer,Calcium signaling pathway,5-Serotonergic synapse,pelin signaling pathway,and Neuroactive ligand-receptor interaction to play a role in the treatment of stroke.The molecular docking results all had good binding activity.Clinical observation revealed that Angong Niuhuang Wan had a significant effect on the repair of neurological deficits,and reduced the length of hospital stay.Conclusion: Su He Xiang Wan and Angong Niuhuang Wan may inhibit the process of brain cell apoptosis,promote the survival and repair of neurons,inhibit related inflammatory factors to improve the body’s immunity,promote angiogenesis,lipid catabolism by acting on similar targets and pathways.Combined with the data of clinical observation literature,Angong Niuhuang Wan can be used for the treatment of various acute stroke.Whether Su He Xiang Wan are suitable for the treatment of various stroke needs further experimental verification and clinical observation. |
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