基于数据挖掘和网络药理学探讨雄黄用药规律及配伍防治痰瘀互结型缺血性中风机制OA

Based on data mining and network pharmacology,this study aims to explore the high-frequency medication regularity of Xionghuang(Realgar)-containing prescriptions for treating"phlegm",and analyze the mechanism of the core combinations of Xionghuang-containing prescriptions for phlegm treatment in preventing and treating ischemic stroke induced by phlegm-blood stasis intermingling,so as to provide a reference for clinical compatibility and medication research.Methods:Prescriptions were retrieved from the National Collection of Traditional Chinese Medicine Formulations.Data mining analysis was conducted to identify the combination patterns of prescriptions containing Xionghuang for treating"phlegm,"and the combination rules of Xionghuang were analyzed.The core medicinal group of Xionghuang was defined as Chinese medicinal materials that met the thresholds of support ≥ 0.55,confidence ≥ 0.90 and lift ≥ 1.00 via association rule analysis.Network pharmacology methods were used to analyze the mechanism of the core combination of Xionghuang-containing prescriptions for treating"phlegm"in preventing and treating ischemic stroke caused by the mutual obstruction of phlegm and blood stasis.CytoScape software was used for visualization,and AutoDock and PyMOL software were used for molecular docking.Results:A total of 164 prescriptions containing Xionghuang that met the data mining inclusion criteria were identified,involving 211 herbs.There were 20 high-frequency herbs(usage frequency≥30 times).The primary pharmacological properties were cold and warm,with the main flavors being pungent,sweet,and bitter.The medicines identified 5 core medicines:"Xionghuang-Shexiang(Moschus)-Zhusha(Cinnabaris)-Niuhuang(Bovis Calculus)-Dannanxing(Arisaema Cum Bile)",which primarily entered the liver and heart meridians.Network pharmacology analysis of the core drug combination identified the top three target genes as insulin,interleukin-6,and tumor necrosis factor.GO functional and KEGG pathway enrichment analyses showed that the core drug combination is involved in biological processes such as the action potential of contracting myocardial cells,membrane depolarization during the action potential process,and responses to hypoxia.Signaling pathways mainly involve lipids and atherosclerosis,as well as the AGE-RAGE signaling pathway in diabetic complications.Molecular docking results indicated that the INS can efficiently bind to Chenodeoxycholic acid.Conclusion:This study preliminarily analyzed the compatibility rules of Xionghuang-containing prescriptions for the treatment of"phlegm"syndrome,revealed the molecular mechanism of the core Xionghuang-containing herb groups in preventing and treating ischemic stroke caused by phlegm-blood stasis intermingling,and provide a theoretical basis for subsequent clinical compatibility research of Realgar.