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基于网络药理学预测白藜芦醇治疗溃疡性结肠炎靶点与分子机制

Prediction of target and molecular mechanism of resveratrol for ulcerative colitis based on network pharmacology
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摘要 目的:运用网络药理学方法探寻白藜芦醇治疗溃疡性结肠炎的关键靶点及分子作用机制。方法:通过SwissTargetPrediction数据库查找白藜芦醇的作用靶点;采用GeneCards数据库搜索溃疡性结肠炎的相关蛋白。将白藜芦醇作用靶点和溃疡性结肠炎靶点取交集,即为白藜芦醇治疗溃疡性结肠炎潜在靶点。采用STRING数据库找出靶点的作用关系,使用Cytoscape 3.9.2软件筛选核心靶点。使用基因微生信网站进行GO与KEGG通路富集分析,以Cytoscape 3.9.2软件构建“成分-靶点-通路”网络。使用SwissDock进行分子对接。结果:从SwissTargetPrediction得到69个白藜芦醇作用靶点,GeneCards数据库得到的533个溃疡性结肠炎相关靶点,两者取交集后共得到22个白藜芦醇抗溃疡性结肠炎的作用靶点。在蛋白相互作用网络中EGFR、SRC、MMP9、MMP2处于核心位置。在GO富集分析和KEGG通路分析中,EGFR、SRC、MMP9、MMP2均存在于内分泌抵抗、松弛素信号通路、雌激素信号通路中。分子对接结果显示,白藜芦醇与核心靶点均有较强的相互作用。结论:白藜芦醇可能通过EGFR、SRC、MMP9、MMP2调节松弛素信号通路和雌激素信号通路治疗溃疡性结肠炎。 Objective:To explore the key target and molecular mechanism of resveratrol(RES)in the treat-ment of ulcerative colitis(UC)by network pharmacology.Methods:RES targets and UC-related pro-teins were searched through the SwissTargetPrediction and GeneCards database.The intersection of the action target and related protein is a potential target of RES for UC treatment.STRING database was used to find the target relationship,and Cytoscape was used to screen the core targets.GO and KEGG pathway enrichment analysis was performed using the bioinformatics website.The"component-target-pathway"network was constructed using Cytoscape 3.9.2 software.SwissDock was adopted for molecular docking.Results:A total of 69 RES targets and 533 UC targets were obtained,and 22 RES targets were obtained after the intersection.EGFR,SRC,MMP9 and MMP2 are located at the core of the protein interaction network and all exist in the relaxin signaling pathway and estrogen signaling pathway.RES had a strong interaction with core targets.Conclusion:RES regulates relaxin and estrogen signaling pathways through EGFR,SRC,MMP9,and MMP2 to treat UC.
作者 谭玉林 庄煌铭 王汉宇 廖斐 TAN Yulin;ZHUANG Huangming;WANG Hanyu;LIAO Fei(Dept.of Gastroenterology,Renmin Hospital of Wuhan University,Wuhan 430060,Hubei,China;Dept.of Orthopedics,Renmin Hospital of Wuhan University,Wuhan 430060,Hubei,China)
出处 《武汉大学学报(医学版)》 CAS 2023年第12期1468-1473,1531,共7页 Medical Journal of Wuhan University
关键词 白藜芦醇 溃疡性结肠炎 网络药理学 Resveratrol Ulcerative Colitis Network Pharmacology
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