Mechanistic Elucidation of Liujun Jiaoxian Tang in Management of Sepsis Through Metabolomics and Network Pharmacology.
Source: PubMed, NCBI / U.S. National Library of Medicine
This study was aimed to investigate the blood composition and potential mechanism of Liujun Jiaoxian Tang (LJJXT) for treating sepsis. After drug intervention in rats, the main active components in LJJXT liquid and serum were identified by UPLC-QE-MS analysis. The effective components and their targets of LJJXT were further screened through the TCMSP database; the disease-related action targets were retrieved by using the Disgenet and Genecards databases. The intersection of the two sets of targets was taken to construct the "LJJXT-components-targets-diseases" network, PPI diagram, GO and KEGG enrichment analysis diagram. Subsequently, molecular docking studies were conducted on the key targets for treating diseases screened by PPI and the corresponding effective components in LJJXT. There were 2159 active ingredients in LJJXT, of which 90 were effective in blood. The 20 screened active ingredients matched 139 targets. There were a total of 2585 disease-related targets, and 76 targets shared by drugs and diseases. There were 2113 biological processes, 43 cell components, 211 molecular functions in GO analysis and 172 pathways obtained by KEGG analysis. The results showed that LJJXT may act on AKT1, TNF, PTGS2 and other targets through the active ingredients in blood such as terpenoids, flavonoids, phenols and alkaloids. It was involved in the regulation of lipid and atherosclerosis, toxoplasmosis, and other signaling pathways to play anti-inflammatory, immune enhancement, red
Abstract
This study was aimed to investigate the blood composition and potential mechanism of Liujun Jiaoxian Tang (LJJXT) for treating sepsis. After drug intervention in rats, the main active components in LJJXT liquid and serum were identified by UPLC-QE-MS analysis. The effective components and their targets of LJJXT were further screened through the TCMSP database; the disease-related action targets were retrieved by using the Disgenet and Genecards databases. The intersection of the two sets of targets was taken to construct the "LJJXT-components-targets-diseases" network, PPI diagram, GO and KEGG enrichment analysis diagram. Subsequently, molecular docking studies were conducted on the key targets for treating diseases screened by PPI and the corresponding effective components in LJJXT. There were 2159 active ingredients in LJJXT, of which 90 were effective in blood. The 20 screened active ingredients matched 139 targets. There were a total of 2585 disease-related targets, and 76 targets shared by drugs and diseases. There were 2113 biological processes, 43 cell components, 211 molecular functions in GO analysis and 172 pathways obtained by KEGG analysis. The results showed that LJJXT may act on AKT1, TNF, PTGS2 and other targets through the active ingredients in blood such as terpenoids, flavonoids, phenols and alkaloids. It was involved in the regulation of lipid and atherosclerosis, toxoplasmosis, and other signaling pathways to play anti-inflammatory, immune enhancement, reduce oxidative stress and other effects, so as to exert drug efficacy and alleviate sepsis. Molecular docking results showed that kaempferol and vitamin A had high affinity with key therapeutic targets involved in lipid and atherosclerotic signaling pathways, and the combination of kaempferol and JUN was the best. This study revealed the effective ingredients and potential mechanisms of LJJXT for treating sepsis, providing sufficient theoretical basis for its clinical treatment of sepsis and subsequent basic research.