Background:Ulcerative colitis(UC)is a chronic disease that often presents with abdominal pain,diarrhea,hematochezia,and significant morbidity.Gancao Xiexin decoction(GXD),a traditional Chinese medicine,has been applie...Background:Ulcerative colitis(UC)is a chronic disease that often presents with abdominal pain,diarrhea,hematochezia,and significant morbidity.Gancao Xiexin decoction(GXD),a traditional Chinese medicine,has been applied for the clinical treatment of UC,while its action mechanisms are unclear.Methods:The active ingredients and their targets of GXD,and UC-related targets,were derived from public databases.Protein-protein interaction,Gene Ontology(GO),and the Kyoto Encyclopedia of Genes and Genomes(KEGG)were used to analyze the important active compounds,key targets,and signaling pathways.Then,molecular docking and animal experiments were performed to verify the findings.A total of 213 active compounds and 89 common targets of GXD for UC were obtained.Results:The hub gene network showed ALB,AKT1,IL6,TNF,VEGFA,TP53,CXCL8,MAPK1,PTGS2,and IL1βmay be potential targets of GXD against UC.GO and KEGG pathway enrichment analyses suggested that the action of GXD against UC was mainly related to response to oxygen levels,lipopolysaccharide,and molecule of bacterial origin,etc.,and achieved by advanced glycation endproducts/receptors for advanced glycation endproducts signaling pathway in diabetic complications,hypoxia-inducible factor(HIF)-1 signaling pathway,interleukin-17/HIF-1 signaling pathway,TNF signaling pathway,etc.Molecular docking results showed that the GXD had good potency of action with the hub target.In vivo experiments showed that GXD significantly alleviated the symptoms of UC and down-regulated the expression of inflammatory factors,nuclear factor-κB and signal transducer and activator of transcription 3.Conclusions:The anti-UC action of GXD is mainly attributed to its anti-oxidative stress,antiinflammatory,and immunomodulatory functions.展开更多
Objective:This paper aims to explore the key targets and mechanism of action of Shaoyao Gancao Decoction in the treatment of cancer pain.Methods:TCMSP database was adopted to screen the active components and potential...Objective:This paper aims to explore the key targets and mechanism of action of Shaoyao Gancao Decoction in the treatment of cancer pain.Methods:TCMSP database was adopted to screen the active components and potential targets of Shaoyao Gancao Decoction.Genecards and OMIM databases were used to collect disease targets for cancer pain.Cytoscape software was used to construct the drug-component-target-disease network diagram.STRING database was used to draw PPI network.Finally,gene ontology(GO)enrichment analysis and KEGG pathway enrichment analysis were performed on key targets.Results:There were 98 potential targets for the treatment of cancer pain in Shaoyao Gancao Decoction.The protein interaction network suggested that IL-6,VEGFA,CASP3,EGFR and MAPK8 may be the core targets for the treatment of cancer pain in Shaoyao Gancao Decoction.GO enrichment analysis showed 127 cellular biological processes,and KEGG pathway enrichment analysis showed 116 related signaling pathways,including MPAK,AGE-RAGE,TNF,ErbB and so on.Conclusions:The treatment of cancer pain by Shaoyao Gancao Decoction may be multi-target,multi-channel and multi-level.This consequence may provide ideas and basis for further research.展开更多
目的:基于网络药理学和分子对接方法探讨甘草附子汤治疗类风湿性关节炎的作用机制。方法:利用中药系统药理学数据库与分析平台(traditional Chinese medicine systems pharmacology database,and analysis platform,TCMSP),根据口服生...目的:基于网络药理学和分子对接方法探讨甘草附子汤治疗类风湿性关节炎的作用机制。方法:利用中药系统药理学数据库与分析平台(traditional Chinese medicine systems pharmacology database,and analysis platform,TCMSP),根据口服生物利用度(oral bioavailability,OB)≥30%、类药性指数(drug-likeness,DL)≥0.18的筛选条件,获取甘草附子汤中4味药材的化学成分和作用靶点;通过Gene-Cards、OMIM、PharmGkb、TTD、DrugBank等数据库获取类风湿性关节炎相关靶点,药物靶点与疾病靶点取交集得到甘草附子汤治疗类风湿性关节炎的潜在作用靶点;采用STRING在线平台构建潜在靶点PPI网络并获得GO富集分析及KEGG通路数据,对其作用机制进行分析预测。运用Cytoscape 3.7.2软件构建活性成分-核心靶点网络并对蛋白质相互作用(protein-protein interaction,PPI)网络进行拓扑分析。利用分子对接方法验证网络药理学分析甘草附子汤治疗RA结果的准确性。结果:活性成分-核心靶点网络分析结果显示有槲皮素、山柰酚、柚皮素、芒柄花素等99种化学成分,关键靶点有白细胞介素6(interleukin-6,IL-6)、JUN、TNF、MAPK14等。GO富集分析共得到1912条富集结果,主要涉及对细胞因子产生的正调控、对炎症反应的调节、对脂多糖的反应等。KEGG富集分析共得到131条通路富集结果,主要涉及细胞因子-细胞因子受体相互作用通路、类风湿性关节炎、TNF信号通路、破骨细胞分化通路等;分子对接结果显示,度值排名前4的槲皮素、山柰酚、柚皮素、芒柄花素对接关键靶点的蛋白结晶复合物构象合理。结论:该研究初步表明,甘草附子汤中多种活性成分通过作用于IL-6、JUN、MAPK14等关键靶点,调节多条信号通路,下调炎性因子表达,调节骨代谢,干预骨破坏,调节免疫功能,发挥治疗类风湿性关节炎的作用。展开更多
文摘Background:Ulcerative colitis(UC)is a chronic disease that often presents with abdominal pain,diarrhea,hematochezia,and significant morbidity.Gancao Xiexin decoction(GXD),a traditional Chinese medicine,has been applied for the clinical treatment of UC,while its action mechanisms are unclear.Methods:The active ingredients and their targets of GXD,and UC-related targets,were derived from public databases.Protein-protein interaction,Gene Ontology(GO),and the Kyoto Encyclopedia of Genes and Genomes(KEGG)were used to analyze the important active compounds,key targets,and signaling pathways.Then,molecular docking and animal experiments were performed to verify the findings.A total of 213 active compounds and 89 common targets of GXD for UC were obtained.Results:The hub gene network showed ALB,AKT1,IL6,TNF,VEGFA,TP53,CXCL8,MAPK1,PTGS2,and IL1βmay be potential targets of GXD against UC.GO and KEGG pathway enrichment analyses suggested that the action of GXD against UC was mainly related to response to oxygen levels,lipopolysaccharide,and molecule of bacterial origin,etc.,and achieved by advanced glycation endproducts/receptors for advanced glycation endproducts signaling pathway in diabetic complications,hypoxia-inducible factor(HIF)-1 signaling pathway,interleukin-17/HIF-1 signaling pathway,TNF signaling pathway,etc.Molecular docking results showed that the GXD had good potency of action with the hub target.In vivo experiments showed that GXD significantly alleviated the symptoms of UC and down-regulated the expression of inflammatory factors,nuclear factor-κB and signal transducer and activator of transcription 3.Conclusions:The anti-UC action of GXD is mainly attributed to its anti-oxidative stress,antiinflammatory,and immunomodulatory functions.
文摘Objective:This paper aims to explore the key targets and mechanism of action of Shaoyao Gancao Decoction in the treatment of cancer pain.Methods:TCMSP database was adopted to screen the active components and potential targets of Shaoyao Gancao Decoction.Genecards and OMIM databases were used to collect disease targets for cancer pain.Cytoscape software was used to construct the drug-component-target-disease network diagram.STRING database was used to draw PPI network.Finally,gene ontology(GO)enrichment analysis and KEGG pathway enrichment analysis were performed on key targets.Results:There were 98 potential targets for the treatment of cancer pain in Shaoyao Gancao Decoction.The protein interaction network suggested that IL-6,VEGFA,CASP3,EGFR and MAPK8 may be the core targets for the treatment of cancer pain in Shaoyao Gancao Decoction.GO enrichment analysis showed 127 cellular biological processes,and KEGG pathway enrichment analysis showed 116 related signaling pathways,including MPAK,AGE-RAGE,TNF,ErbB and so on.Conclusions:The treatment of cancer pain by Shaoyao Gancao Decoction may be multi-target,multi-channel and multi-level.This consequence may provide ideas and basis for further research.
文摘目的:基于网络药理学和分子对接方法探讨甘草附子汤治疗类风湿性关节炎的作用机制。方法:利用中药系统药理学数据库与分析平台(traditional Chinese medicine systems pharmacology database,and analysis platform,TCMSP),根据口服生物利用度(oral bioavailability,OB)≥30%、类药性指数(drug-likeness,DL)≥0.18的筛选条件,获取甘草附子汤中4味药材的化学成分和作用靶点;通过Gene-Cards、OMIM、PharmGkb、TTD、DrugBank等数据库获取类风湿性关节炎相关靶点,药物靶点与疾病靶点取交集得到甘草附子汤治疗类风湿性关节炎的潜在作用靶点;采用STRING在线平台构建潜在靶点PPI网络并获得GO富集分析及KEGG通路数据,对其作用机制进行分析预测。运用Cytoscape 3.7.2软件构建活性成分-核心靶点网络并对蛋白质相互作用(protein-protein interaction,PPI)网络进行拓扑分析。利用分子对接方法验证网络药理学分析甘草附子汤治疗RA结果的准确性。结果:活性成分-核心靶点网络分析结果显示有槲皮素、山柰酚、柚皮素、芒柄花素等99种化学成分,关键靶点有白细胞介素6(interleukin-6,IL-6)、JUN、TNF、MAPK14等。GO富集分析共得到1912条富集结果,主要涉及对细胞因子产生的正调控、对炎症反应的调节、对脂多糖的反应等。KEGG富集分析共得到131条通路富集结果,主要涉及细胞因子-细胞因子受体相互作用通路、类风湿性关节炎、TNF信号通路、破骨细胞分化通路等;分子对接结果显示,度值排名前4的槲皮素、山柰酚、柚皮素、芒柄花素对接关键靶点的蛋白结晶复合物构象合理。结论:该研究初步表明,甘草附子汤中多种活性成分通过作用于IL-6、JUN、MAPK14等关键靶点,调节多条信号通路,下调炎性因子表达,调节骨代谢,干预骨破坏,调节免疫功能,发挥治疗类风湿性关节炎的作用。
