Mechanism of Terminalia chebula and Aconiti Kusnezoffii Radix Compatibility in Treating RA and GA Based on UPLC-QTOF/MS and Network Pharmacology
Objective:To explore the mechanism of Terminalia chebula and Aconiti Kusnezoffii Radix compatibility in the treatment of rheumatoid arthritis(RA)and gouty arthritis(GA).Methods:Data mining technology was used to find out the core drug combination(Terminalia chebula-Aconiti Kusnezoffii Radix)for the treatment of'Tulai'disease,and ultra-high performance liquid chromatography-quadrupole time-of-flight mass spectrometry(UPLC-QTOF-MS)was used to detect the components of Terminalia chebula and Aconiti Kusnezoffii Radix compatibility in the blood of rats,and multiple databases such as PubChem,SwissTargetPrediction,GeneCards,OMIM,DisGeNET,and Metascape were used to search the corresponding chemical component targets of Terminalia chebula and Aconiti Kusnezoffii Radix,the disease targets of RA and GA,and the metabolic pathways.Cytoscape 3.8.2 software was used to construct the network of"component-target-pathway-disease",and the high affinity between major components and key targets of Terminalia chebula and Aconiti Kusnezoffii Radix was confirmed by the molecular docking method.Results:After the corresponding targets in the blood intersect with RA targets,323 intersecting targets were obtained,and after they intersect with GA targets,24 intersecting targets were obtained.There were 24 common targets,including tumor necrosis factor(TNF),cellular tumor antigen p53(TP53),matrix metalloproteinase-9(MMP-9),prostaglandin-endoperoxide synthase 2(PTGS2),and signal transducer and activator of transcription 3(STAT3),which were closely related to stearidonic acid,sericic acid,5-(3-hydroxy-4-acetoxybut-1-ynyl)-2,2′-bithiophene,and ganoderic acid H,involving pathways such as TNF signaling pathway,osteoclast differentiation,and cancer pathway.The results of molecular docking showed that ganoderic acid H had strong docking activity with TNF,and 5-(3-hydroxy-4-acetoxybut-1-ynyl)-2,2′-bithiophene had strong docking activity with MMP9.Conclusion:The compatibility of Mongolian Medicine Terminalia chebula and Aconiti Kusnezoffii Radix has a multi-target effect on RA and GA.It may treat different diseases with the same method through the regulation of inflammatory response,cellular response to biotic stimulus,response to molecule of bacterial origin,positive regulation of phosphate metabolism,and response to hormones.
Terminalia chebula Retz.Aconiti Kusnezoffii RadixUPLC-QTOF/MS techniquenetwork pharmacologyrheumatoid arthritisgouty arthritissame treatment to different diseasesdata mining technology
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