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,MAP kinase activity,osteoclast differentiation,et al.展开更多
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,MAP kinase activity,osteoclast differentiation,et al.
