目的肾着汤是治疗腰椎间盘突出症的常用方剂,该研究采用网络药理学的方法来探讨其治疗腰椎间盘突出症的可能作用机制。方法通过TCMSP数据库收集肾着汤各个成分的化学成分,并根据标准,筛选出有效成分并预测其治疗靶点。再通过对Gene Card...目的肾着汤是治疗腰椎间盘突出症的常用方剂,该研究采用网络药理学的方法来探讨其治疗腰椎间盘突出症的可能作用机制。方法通过TCMSP数据库收集肾着汤各个成分的化学成分,并根据标准,筛选出有效成分并预测其治疗靶点。再通过对Gene Cards数据库、OMIM数据库、Dis Ge NET数据库、TTD数据库进行检索,得到腰椎间盘突出症的疾病靶点,并将药物预测靶点和疾病靶点进行映射。采用Cytoscape软件绘制"药物-成分-靶点-疾病"的可视化网络,并用R软件、perl脚本进行数据分析和相关图形的绘制。还将映射的关键靶点上传至STRING数据库进行构建蛋白互作PPI网络图。结果经筛选后,共得到肾着汤主要有效成分119个,收集到腰椎间盘突出症的疾病靶点337个,药物和疾病共有靶点15个,PPI可视化分析白细胞介素-6(IL-6)、FOS、CASP3、EGFR、MAPK8等可能是肾着汤治疗腰椎间盘突出症的关键靶点。GO富集分析共明确60条条目,包括生长因子受体活性、类固醇类激素受体活性、细胞外基质结合的调控、肿瘤坏死因子受体超家族调控、MAP激酶活性等多个方面。KEGG通路富集分析得到了了84条信号通路,涉及到细胞凋亡、MAPK信号通路、p53信号通路、NF-κB信号通路、PI3K-Akt信号通路、TNF信号通路等。结论肾着汤治疗腰椎间盘突出症是多途径、多靶点的,本研究初步解释了其治疗机制,为以后的分子生物学、生物信息学的验证提供参考。展开更多
Background:This study gets a classic prescription of Song Dynasty medicine for the treatment of waist and leg pain through analyzing the inheritance of traditional Chinese medicine auxiliary platform.Further,the poten...Background:This study gets a classic prescription of Song Dynasty medicine for the treatment of waist and leg pain through analyzing the inheritance of traditional Chinese medicine auxiliary platform.Further,the potential mechanism of the classic prescription was analyzed based on molecular docking and network pharmacology.Methods:Based on the frequency statistics,association rules and cluster analysis,the core herbal combination and the classic prescription was digged out.Use of network pharmacology methods and molecular docking to explore the pharmacological mechanism of classic prescriptions for treatment of lumbar disc herniation.Then gene ontology biological function annotation and Kyoto Encyclopedia of Genes and Genomes enrichment of pathways were performed.Finally,the compounds of herbs were docked with the important targets of MMP1 and CRP.Results:The high-frequency Chinese medicines for treating waist and leg pain were found and we further unearthed the“Rougui-Fuzi-Niuxi(Cinnamoni cortex-Aconm lateralis radix praeparaia-Achyranthis bidentatae radix”as the core herbal combination,and matched the classic ancient prescription of Chinese medicine Jiawei Shenzhuo decoction(CAPCMJWSZD).The targets of CAPCMJWSZD were mapped to the targets of lumbar disc herniation and 48 potential targets were obtained.The core potential targets were obtained in the protein-protein interaction network,such as CRP,IL2,FOS,MMP1,CASP3.Through the DAVID database,a total of 129 gene ontology function annotation terms(P<0.01)and 91 Kyoto Encyclopedia of Genes and Genomes pathways(P<0.01)were obtained.Molecular docking results showed that quercetin has the lowest binding energy for docking with MMP1and CRP,and these two methods of molecular docking are most likely to occur.Conclusion:The most important bioactive components in CAPCMJWSZD can eliminate inflammation and slow disc degeneration through some potential targets,such as CRP,IL-2,MMP1,and these targets can rich in the following pathways,such as metalloendopeptidase activity展开更多
文摘目的肾着汤是治疗腰椎间盘突出症的常用方剂,该研究采用网络药理学的方法来探讨其治疗腰椎间盘突出症的可能作用机制。方法通过TCMSP数据库收集肾着汤各个成分的化学成分,并根据标准,筛选出有效成分并预测其治疗靶点。再通过对Gene Cards数据库、OMIM数据库、Dis Ge NET数据库、TTD数据库进行检索,得到腰椎间盘突出症的疾病靶点,并将药物预测靶点和疾病靶点进行映射。采用Cytoscape软件绘制"药物-成分-靶点-疾病"的可视化网络,并用R软件、perl脚本进行数据分析和相关图形的绘制。还将映射的关键靶点上传至STRING数据库进行构建蛋白互作PPI网络图。结果经筛选后,共得到肾着汤主要有效成分119个,收集到腰椎间盘突出症的疾病靶点337个,药物和疾病共有靶点15个,PPI可视化分析白细胞介素-6(IL-6)、FOS、CASP3、EGFR、MAPK8等可能是肾着汤治疗腰椎间盘突出症的关键靶点。GO富集分析共明确60条条目,包括生长因子受体活性、类固醇类激素受体活性、细胞外基质结合的调控、肿瘤坏死因子受体超家族调控、MAP激酶活性等多个方面。KEGG通路富集分析得到了了84条信号通路,涉及到细胞凋亡、MAPK信号通路、p53信号通路、NF-κB信号通路、PI3K-Akt信号通路、TNF信号通路等。结论肾着汤治疗腰椎间盘突出症是多途径、多靶点的,本研究初步解释了其治疗机制,为以后的分子生物学、生物信息学的验证提供参考。
基金The 2020 Scientific Research Project of Hebei Provincial Administration of Traditional Chinese Medicine(NO:2020365)The 2019 Hebei University College Student Innovation Training Project(S201910075030).
文摘Background:This study gets a classic prescription of Song Dynasty medicine for the treatment of waist and leg pain through analyzing the inheritance of traditional Chinese medicine auxiliary platform.Further,the potential mechanism of the classic prescription was analyzed based on molecular docking and network pharmacology.Methods:Based on the frequency statistics,association rules and cluster analysis,the core herbal combination and the classic prescription was digged out.Use of network pharmacology methods and molecular docking to explore the pharmacological mechanism of classic prescriptions for treatment of lumbar disc herniation.Then gene ontology biological function annotation and Kyoto Encyclopedia of Genes and Genomes enrichment of pathways were performed.Finally,the compounds of herbs were docked with the important targets of MMP1 and CRP.Results:The high-frequency Chinese medicines for treating waist and leg pain were found and we further unearthed the“Rougui-Fuzi-Niuxi(Cinnamoni cortex-Aconm lateralis radix praeparaia-Achyranthis bidentatae radix”as the core herbal combination,and matched the classic ancient prescription of Chinese medicine Jiawei Shenzhuo decoction(CAPCMJWSZD).The targets of CAPCMJWSZD were mapped to the targets of lumbar disc herniation and 48 potential targets were obtained.The core potential targets were obtained in the protein-protein interaction network,such as CRP,IL2,FOS,MMP1,CASP3.Through the DAVID database,a total of 129 gene ontology function annotation terms(P<0.01)and 91 Kyoto Encyclopedia of Genes and Genomes pathways(P<0.01)were obtained.Molecular docking results showed that quercetin has the lowest binding energy for docking with MMP1and CRP,and these two methods of molecular docking are most likely to occur.Conclusion:The most important bioactive components in CAPCMJWSZD can eliminate inflammation and slow disc degeneration through some potential targets,such as CRP,IL-2,MMP1,and these targets can rich in the following pathways,such as metalloendopeptidase activity
