BACKGROUND Ulcerative colitis(UC)is a refractory intestinal disease with alternating onset and remission and a long disease course,which seriously affects the health and quality of life of patients.The goal of treatme...BACKGROUND Ulcerative colitis(UC)is a refractory intestinal disease with alternating onset and remission and a long disease course,which seriously affects the health and quality of life of patients.The goal of treatment is to control clinical symptoms,induce and maintain remission,promote mucosal healing,and reduce recurrence.Clinical trials have shown unsatisfactory clinical response rates.As a supplementary alternative medicine,traditional Chinese medicine has a rich history and has shown good results in the treatment of UC.Because of the quality of herbal medicine and other factors,the curative effect of traditional Chinese medicine is not stable enough.The mechanism underlying the effect of Jianpi Qingchang Huashi Recipe(JPQCHSR)on inducing UC mucosal healing is not clear.AIM To investigate the potential mechanism of JPQCHSR for the treatment of UC based on network pharmacology and molecular docking.METHODS Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform was used to extract the active components and action targets of JPQCHSR,and the target names were standardized and corrected through UniProt database.The related targets of UC were obtained through GeneCards database,and the intersection targets of drugs and diseases were screened by jvenn online analysis tool.The visual regulatory network of"Traditional Chinese medicine-active components-target-disease"was constructed using Cytoscape software,the protein interaction network was constructed using STRING database,and enrichment analysis of gene ontology and Kyoto Encyclopedia of Genes and Genomes pathways was conducted through R software.At last,the active components were docked with the core target through SYBYL-X 2.1.1 software.RESULTS Through database analysis,a total of 181 active components,302 targets and 205 therapeutic targets were obtained for JPQCHSR.The key compounds include quercetin,luteolin,kaempferol,etc.The core targets involved STAT3,AKT1,TP53,MAPK1,MAPK3,JUN,TNF,etc.A total of 2861 items were obtained by GO enrichment analysis,and 171 items were obtained by KEGG(Kyoto Encyclopedia of Genes and Genomes)pathway enrichment analysis.The results of molecular docking showed that the key active components in JPQCHSR had certain affinity with the core target.CONCLUSION The treatment of UC with JPQCHSR is a complex process of multi-component,multi-target and multi-pathway regulation.The mechanism of this Recipe in the treatment of UC can be predicted through network pharmacology and molecular docking,so as to provide theoretical reference for it to better play its therapeutic role.展开更多
Objective:To explore the target and signal pathway of Qingchang Huashi Decoction(QCHSD)in the treatment of ulcerative colitis(UC)by using network pharmacology,so as to explain its molecular mechanism of action in the ...Objective:To explore the target and signal pathway of Qingchang Huashi Decoction(QCHSD)in the treatment of ulcerative colitis(UC)by using network pharmacology,so as to explain its molecular mechanism of action in the treatment of UC from damp heat.Methods:TCMSP was used to screen the potential active components(OB≥30%,DL≥0.18)and target of QCHSD.The network of"potential active ingredients-target-disease"was constructed by using the database of TCMSP and GeneCards.Using the string platform,the protein protein interaction(PPI)network model was constructed to find the core target.Go and KEGG enrichment of potential targets were analyzed by R software.Results:The results of network analysis showed that quercetin,kaempferol,scutellarin and baicalein were the top four active ingredients in QCHSD.210 gene targets were found in QCHSD,4213 in UC.The key targets of QCHSD in treating UC included AKT1,IL-6,VEGFA,CASP3,etc.GO enrichment analysis showed that these gene targets mainly affected nuclear receptor,steroid receptor,cytokine receptor binding,cytokine activity,etc.KEGG enrichment analysis showed that AGE-RAGE signaling pathway,IL-17 signaling pathway and TNF were more abundant.Conclusion:This study describes the material basis and mechanism of QCHSD in the treatment of UC,which provides theoretical basis and research direction for future research.展开更多
基金Shaanxi Province Natural Science Basic Research Program-General Project,No.2019JM-580 and No.2021SF-314Project of Shaanxi Administration of Traditional Chinese Medicine,No.2019-ZZ-JC010Key Clinical Specialty Construction Project supported by Hongkou District Health Committee,No.HKZK2020A01.
文摘BACKGROUND Ulcerative colitis(UC)is a refractory intestinal disease with alternating onset and remission and a long disease course,which seriously affects the health and quality of life of patients.The goal of treatment is to control clinical symptoms,induce and maintain remission,promote mucosal healing,and reduce recurrence.Clinical trials have shown unsatisfactory clinical response rates.As a supplementary alternative medicine,traditional Chinese medicine has a rich history and has shown good results in the treatment of UC.Because of the quality of herbal medicine and other factors,the curative effect of traditional Chinese medicine is not stable enough.The mechanism underlying the effect of Jianpi Qingchang Huashi Recipe(JPQCHSR)on inducing UC mucosal healing is not clear.AIM To investigate the potential mechanism of JPQCHSR for the treatment of UC based on network pharmacology and molecular docking.METHODS Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform was used to extract the active components and action targets of JPQCHSR,and the target names were standardized and corrected through UniProt database.The related targets of UC were obtained through GeneCards database,and the intersection targets of drugs and diseases were screened by jvenn online analysis tool.The visual regulatory network of"Traditional Chinese medicine-active components-target-disease"was constructed using Cytoscape software,the protein interaction network was constructed using STRING database,and enrichment analysis of gene ontology and Kyoto Encyclopedia of Genes and Genomes pathways was conducted through R software.At last,the active components were docked with the core target through SYBYL-X 2.1.1 software.RESULTS Through database analysis,a total of 181 active components,302 targets and 205 therapeutic targets were obtained for JPQCHSR.The key compounds include quercetin,luteolin,kaempferol,etc.The core targets involved STAT3,AKT1,TP53,MAPK1,MAPK3,JUN,TNF,etc.A total of 2861 items were obtained by GO enrichment analysis,and 171 items were obtained by KEGG(Kyoto Encyclopedia of Genes and Genomes)pathway enrichment analysis.The results of molecular docking showed that the key active components in JPQCHSR had certain affinity with the core target.CONCLUSION The treatment of UC with JPQCHSR is a complex process of multi-component,multi-target and multi-pathway regulation.The mechanism of this Recipe in the treatment of UC can be predicted through network pharmacology and molecular docking,so as to provide theoretical reference for it to better play its therapeutic role.
基金National natural science foundation of China(No.81673905,81873260)National key research and development planning(No.2017YFC1700104)+2 种基金Project of science and technology department of Jiangsu province(No.BE2019769)Project for the construction of superior disciplines of universities and colleges in Jiangsu province[2018(87)]Scientific research innovative program for postgraduate students Jiangsu province(No.KYCX20_1530)。
文摘Objective:To explore the target and signal pathway of Qingchang Huashi Decoction(QCHSD)in the treatment of ulcerative colitis(UC)by using network pharmacology,so as to explain its molecular mechanism of action in the treatment of UC from damp heat.Methods:TCMSP was used to screen the potential active components(OB≥30%,DL≥0.18)and target of QCHSD.The network of"potential active ingredients-target-disease"was constructed by using the database of TCMSP and GeneCards.Using the string platform,the protein protein interaction(PPI)network model was constructed to find the core target.Go and KEGG enrichment of potential targets were analyzed by R software.Results:The results of network analysis showed that quercetin,kaempferol,scutellarin and baicalein were the top four active ingredients in QCHSD.210 gene targets were found in QCHSD,4213 in UC.The key targets of QCHSD in treating UC included AKT1,IL-6,VEGFA,CASP3,etc.GO enrichment analysis showed that these gene targets mainly affected nuclear receptor,steroid receptor,cytokine receptor binding,cytokine activity,etc.KEGG enrichment analysis showed that AGE-RAGE signaling pathway,IL-17 signaling pathway and TNF were more abundant.Conclusion:This study describes the material basis and mechanism of QCHSD in the treatment of UC,which provides theoretical basis and research direction for future research.
