Objective:Based on network pharmacology and molecular docking,we want to explore the pharmacological effects and mechanism of Danggui Sini Decoction in the treatment of lower extremity arteriosclerosis obliterans.Meth...Objective:Based on network pharmacology and molecular docking,we want to explore the pharmacological effects and mechanism of Danggui Sini Decoction in the treatment of lower extremity arteriosclerosis obliterans.Methods:Using TCMSP database to search the main active components of Danggui Sini Decoction(当归四逆汤,DSD)and their related targets,Cytoscape3.8.1 software was used to construct a"component-disease-target"interaction network.Meanwhile,DAVID database was used to enrich the key target genes with GO and KEGG functions.And we used Auto Dock Tools 1.5.6 for molecular docking.Results:A total of 45 candidate active molecules and 250 potential target proteins related to ASO were screened.Key genes such as TNF,IL6,VEGFA,MMP9,IL1B,CCL2,CXCL8,ICAM1,VCAM1,and IL10 are mainly through TNF signaling pathway,HIF-1 signaling pathway,cytokine-cytokine receptor interaction,Toll-like receptor signaling pathway,NF-kappa B signaling pathway,MAPK signaling pathway and other biological pathways exert their effects.The results of molecular docking showed that 5UUI-sesamin,5UUI-paeoniflorin,4XCT-sesamin,and 4XCT-sesamin have extremely strong binding ability.Conclusion:Danggui Sini Decoction(当归四逆汤,DSD)can synergistically exert pharmacological effects through multiple components,multiple targets,and multiple pathways.On the basis of regulating immunity and inhibiting smooth muscle proliferation,it can prevent the occurrence and development of ASO.展开更多
BACKGROUND Allergic cutaneous vasculitis(ACV)is a difficult disease to treat.At present,there is no effective treatment for this condition.Traditionally,immunosuppressants and hormones have been primarily used in its ...BACKGROUND Allergic cutaneous vasculitis(ACV)is a difficult disease to treat.At present,there is no effective treatment for this condition.Traditionally,immunosuppressants and hormones have been primarily used in its management,but the treatment effect is suboptimal,and it has several side effects.CASE SUMMARY We present the case of a 19-year-old woman who presented at our hospital with a four-year history of symmetric skin lesions mainly affecting her lower extremities.She had previously undergone treatment with prednisolone acetate,cetirizine hydrochloride,and loratadine tablets but had not experienced any relief in her condition.Thereafter,she was treated with oral traditional Chinese medicine.Her skin damage gradually improved within two months of treatment initiation.After six months,the skin ulcers had completely subsided.No evidence of skin ulcer recurrence was observed during the subsequent follow-up.This report presents the first case of a female patient who received oral Danggui Sini decoction for the treatment of ACV.CONCLUSION Danggui Sini decoction may be a promising oral treatment for ACV patients.展开更多
目的基于超高效液相色谱串联四级杆-静电场轨道阱高分辨质谱技术(UPLC-Q-Orbitrap-MS)结合网络药理学探究当归四逆汤治疗类风湿性关节炎及原发性痛经“异病同治”的活性成分及作用机制。方法UPLC-Q-Orbitrap-MS技术对经典名方当归四逆...目的基于超高效液相色谱串联四级杆-静电场轨道阱高分辨质谱技术(UPLC-Q-Orbitrap-MS)结合网络药理学探究当归四逆汤治疗类风湿性关节炎及原发性痛经“异病同治”的活性成分及作用机制。方法UPLC-Q-Orbitrap-MS技术对经典名方当归四逆汤的化学成分定性分析。采用中药系统药理学数据库与分析平台(TCMSP)、SwissTargetPrediction数据库对鉴别的化学成分预测靶点;采用Drugbank、OMIM、Genecard数据库收集与类风湿性关节炎、原发性痛经相关的靶点;利用Cytoscape3.7.2软件构建“活性成分—靶点—疾病”网络并分析关键成分和靶点;利用Metascape3.5在线对潜在靶点进行基因本体论功能注释(gene ontology,GO)和京都基因与基因组百科全书(kyoto encyclopedia of genes and genomes,KEGG)通路分析。结果共筛选出当归四逆汤治疗类风湿性关节炎及原发性痛经交集靶点96个,筛选出25个核心靶点,富集结果分析显示,990个涉及生物过程、73个涉及细胞组分、100个涉及分子功能。结论结果表明,当归四逆汤可能通过布雷非德菌素A、木犀草素-7-葡萄糖苷、咖啡酸、甘草素等成分作用于酪氨酸激酶(sarcoma gene,SRC)、信号转导子和转录激活子3(signal transducer and activator of transcription 3,STAT3)、表皮生长因子受体(Epidermal growth factor receptor,EGFR)、丝裂原活化蛋白激酶1(mitogen-activated protein kinase 1,MAPK1)、磷酸肌醇3激酶的p110α催化亚基(phosphatidylinositol-4,5-bisphosphate 3-kinase,PIK3CA)、白介素-6(interleukin-6,IL-6)、花生四烯酸等信号通路发挥抗炎镇痛作用。展开更多
基金supported by Shanxi Provincial Department of Science and Technology Applied Basic Research Project(201901D211537)Shanxi University of Traditional Chinese Medicine Science and Technology Innovation Capability Cultivation Project(2019PY-007)Shanxi Province Zheng Xuejun's famous traditional Chinese medicine expert inheritance work(SXSMZYGZS023).
文摘Objective:Based on network pharmacology and molecular docking,we want to explore the pharmacological effects and mechanism of Danggui Sini Decoction in the treatment of lower extremity arteriosclerosis obliterans.Methods:Using TCMSP database to search the main active components of Danggui Sini Decoction(当归四逆汤,DSD)and their related targets,Cytoscape3.8.1 software was used to construct a"component-disease-target"interaction network.Meanwhile,DAVID database was used to enrich the key target genes with GO and KEGG functions.And we used Auto Dock Tools 1.5.6 for molecular docking.Results:A total of 45 candidate active molecules and 250 potential target proteins related to ASO were screened.Key genes such as TNF,IL6,VEGFA,MMP9,IL1B,CCL2,CXCL8,ICAM1,VCAM1,and IL10 are mainly through TNF signaling pathway,HIF-1 signaling pathway,cytokine-cytokine receptor interaction,Toll-like receptor signaling pathway,NF-kappa B signaling pathway,MAPK signaling pathway and other biological pathways exert their effects.The results of molecular docking showed that 5UUI-sesamin,5UUI-paeoniflorin,4XCT-sesamin,and 4XCT-sesamin have extremely strong binding ability.Conclusion:Danggui Sini Decoction(当归四逆汤,DSD)can synergistically exert pharmacological effects through multiple components,multiple targets,and multiple pathways.On the basis of regulating immunity and inhibiting smooth muscle proliferation,it can prevent the occurrence and development of ASO.
文摘BACKGROUND Allergic cutaneous vasculitis(ACV)is a difficult disease to treat.At present,there is no effective treatment for this condition.Traditionally,immunosuppressants and hormones have been primarily used in its management,but the treatment effect is suboptimal,and it has several side effects.CASE SUMMARY We present the case of a 19-year-old woman who presented at our hospital with a four-year history of symmetric skin lesions mainly affecting her lower extremities.She had previously undergone treatment with prednisolone acetate,cetirizine hydrochloride,and loratadine tablets but had not experienced any relief in her condition.Thereafter,she was treated with oral traditional Chinese medicine.Her skin damage gradually improved within two months of treatment initiation.After six months,the skin ulcers had completely subsided.No evidence of skin ulcer recurrence was observed during the subsequent follow-up.This report presents the first case of a female patient who received oral Danggui Sini decoction for the treatment of ACV.CONCLUSION Danggui Sini decoction may be a promising oral treatment for ACV patients.
文摘目的基于超高效液相色谱串联四级杆-静电场轨道阱高分辨质谱技术(UPLC-Q-Orbitrap-MS)结合网络药理学探究当归四逆汤治疗类风湿性关节炎及原发性痛经“异病同治”的活性成分及作用机制。方法UPLC-Q-Orbitrap-MS技术对经典名方当归四逆汤的化学成分定性分析。采用中药系统药理学数据库与分析平台(TCMSP)、SwissTargetPrediction数据库对鉴别的化学成分预测靶点;采用Drugbank、OMIM、Genecard数据库收集与类风湿性关节炎、原发性痛经相关的靶点;利用Cytoscape3.7.2软件构建“活性成分—靶点—疾病”网络并分析关键成分和靶点;利用Metascape3.5在线对潜在靶点进行基因本体论功能注释(gene ontology,GO)和京都基因与基因组百科全书(kyoto encyclopedia of genes and genomes,KEGG)通路分析。结果共筛选出当归四逆汤治疗类风湿性关节炎及原发性痛经交集靶点96个,筛选出25个核心靶点,富集结果分析显示,990个涉及生物过程、73个涉及细胞组分、100个涉及分子功能。结论结果表明,当归四逆汤可能通过布雷非德菌素A、木犀草素-7-葡萄糖苷、咖啡酸、甘草素等成分作用于酪氨酸激酶(sarcoma gene,SRC)、信号转导子和转录激活子3(signal transducer and activator of transcription 3,STAT3)、表皮生长因子受体(Epidermal growth factor receptor,EGFR)、丝裂原活化蛋白激酶1(mitogen-activated protein kinase 1,MAPK1)、磷酸肌醇3激酶的p110α催化亚基(phosphatidylinositol-4,5-bisphosphate 3-kinase,PIK3CA)、白介素-6(interleukin-6,IL-6)、花生四烯酸等信号通路发挥抗炎镇痛作用。
