Molecular Mechanism of Sophora Flavescens in the Treatment of Ulcerative Colitis Through Regulating Immune-Related Gene Based on Bioinformatics and Molecular Docking
OBJECTIVE:To analyze the pharmacological mechanism of sophora flavescens in the treatment of ulcerative colitis(UC)based on bioinformatics and molecular docking.METHODS:The ingredients target information of sophora flavescens was obtained through the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform and related literature,the differential expression genes of UC were obtained by using the dataset(GSE206285)in the GEO database,the IRGs were collected through immune-related gene(IRGs)database,and STRING platform was used to perform protein-protein interaction analysis,so as to screen the core targets of sophora flavescens in the treatment of UC through regulating the expression of IRGs.The enrichment analysis on related gene was conducted by using Metascape platform,and molecular docking verification was finally conducted on the main active ingredients and core targets in sophora flavescens.RESULTS:The potential active ingredients of sophora flavescens in the treatment of UC by regulating immune-related proteins were quercetin,luteolin,formononetin,8-isoprenyl-kaempferol,phaseolin,wighteone,glyceollin,maackiain,kushenin and matrine;the core targets were matrix metalloproteinase(MMP)9,interleukin(IL)1β,CXC chemokine ligand 8(CXCL8),PPARG,PTGS2 and IL-6;the involved signaling pathways were cancer-related pathway,lipid and atherosclerosis pathway,AGE-RAGE signaling pathway,IL-17 signaling pathway and tumor necrosis factor signaling pathway,etc.;the binding energy of MMP9 to wighteone was-42.7 kJ/mol;the binding energy of PPARG to phaseolin was-41.9 kJ/mol;the binding energy of MMP9 to luteolin,PTGS2 to luteolin,PTGS2 to phaseolin and PTGS2 to glyceollin were-40.6 kJ/mol.CONCLUSIONS:This study has explored the potential mechanism of sophora flavescens in the treatment of UC by regulating IRGs,so as to provided a theoretical basis for the expansion of the clinical application of sophora flavescens and new therapeutic strategies for UC.
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