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Network Pharmacology Integrated Molecular Docking Revealed the Mechanism of Jianpi Yiqi Taohua Decoction Against Ulcerative Colitis

BACKGROUND: Jianpi Yiqi Taohua decoction (JYTD) has shown therapeutic effects in ulcerative colitis (UC). However, the pharmacological mechanism of JYTD against UC remains unclear. MATERIAL/METHODS: Compounds and targets of JYTD and UC-related genes were screened from public databases. Integrated an...

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Autores principales: Jia, Lin, Zhou, Haiyan, Li, Wenhao, Lv, Zhantai
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Scientific Literature, Inc. 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8862153/
https://www.ncbi.nlm.nih.gov/pubmed/35173140
http://dx.doi.org/10.12659/MSM.933537
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author Jia, Lin
Zhou, Haiyan
Li, Wenhao
Lv, Zhantai
author_facet Jia, Lin
Zhou, Haiyan
Li, Wenhao
Lv, Zhantai
author_sort Jia, Lin
collection PubMed
description BACKGROUND: Jianpi Yiqi Taohua decoction (JYTD) has shown therapeutic effects in ulcerative colitis (UC). However, the pharmacological mechanism of JYTD against UC remains unclear. MATERIAL/METHODS: Compounds and targets of JYTD and UC-related genes were screened from public databases. Integrated analysis was performed to identify therapeutic targets of UC, followed by functional enrichment analysis. Protein–protein interaction (PPI) and pharmacological networks were then established. Molecular docking was used to validate the affinity of compounds and their targets. Further, the efficacy of JYTD was evaluated by meta-analysis. Relevant studies were searched from 5 databases. Outcomes were complete response rate (CRR) and overall response rate (ORR), and pooled results were estimated by risk ratio (RR) with corresponding 95% confidence intervals (CIs). RESULTS: The pharmacological network identified 13 herbal medicines, 28 compounds, 54 targets, and 20 pathways. Stigmasterol, liquiritigenin, and naringenin were potential active compounds, and PRKCA, NFKB1, ESR1, NTRK1, AKT1, PPARG, RXRA, and VDR were hub targets. Pathway analysis revealed that genes were mainly involved in the cellular response to lipids. Molecular docking indicated that AKT1, NFKB1, ESR1, NTRK1, PRKCA, and PPARG exhibited good affinity to 6 key compounds of JYTD. Then, meta-analysis revealed that Tao Hua decoction treatment significantly improved CRR (RR, 1.21; 95% CI, 1.06–1.37; P=0.004) and ORR (RR, 1.16; 95% CI, 1.08–1.24; P<0.001). CONCLUSIONS: JYTD was found to have preventive and therapeutic effects on UC through multiple compounds, targets, and pathways. These findings enhanced our understanding of the potential pharmacological mechanisms of JYTD against UC.
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spelling pubmed-88621532022-03-17 Network Pharmacology Integrated Molecular Docking Revealed the Mechanism of Jianpi Yiqi Taohua Decoction Against Ulcerative Colitis Jia, Lin Zhou, Haiyan Li, Wenhao Lv, Zhantai Med Sci Monit Database Analysis BACKGROUND: Jianpi Yiqi Taohua decoction (JYTD) has shown therapeutic effects in ulcerative colitis (UC). However, the pharmacological mechanism of JYTD against UC remains unclear. MATERIAL/METHODS: Compounds and targets of JYTD and UC-related genes were screened from public databases. Integrated analysis was performed to identify therapeutic targets of UC, followed by functional enrichment analysis. Protein–protein interaction (PPI) and pharmacological networks were then established. Molecular docking was used to validate the affinity of compounds and their targets. Further, the efficacy of JYTD was evaluated by meta-analysis. Relevant studies were searched from 5 databases. Outcomes were complete response rate (CRR) and overall response rate (ORR), and pooled results were estimated by risk ratio (RR) with corresponding 95% confidence intervals (CIs). RESULTS: The pharmacological network identified 13 herbal medicines, 28 compounds, 54 targets, and 20 pathways. Stigmasterol, liquiritigenin, and naringenin were potential active compounds, and PRKCA, NFKB1, ESR1, NTRK1, AKT1, PPARG, RXRA, and VDR were hub targets. Pathway analysis revealed that genes were mainly involved in the cellular response to lipids. Molecular docking indicated that AKT1, NFKB1, ESR1, NTRK1, PRKCA, and PPARG exhibited good affinity to 6 key compounds of JYTD. Then, meta-analysis revealed that Tao Hua decoction treatment significantly improved CRR (RR, 1.21; 95% CI, 1.06–1.37; P=0.004) and ORR (RR, 1.16; 95% CI, 1.08–1.24; P<0.001). CONCLUSIONS: JYTD was found to have preventive and therapeutic effects on UC through multiple compounds, targets, and pathways. These findings enhanced our understanding of the potential pharmacological mechanisms of JYTD against UC. International Scientific Literature, Inc. 2022-02-17 /pmc/articles/PMC8862153/ /pubmed/35173140 http://dx.doi.org/10.12659/MSM.933537 Text en © Med Sci Monit, 2022 https://creativecommons.org/licenses/by-nc-nd/4.0/This work is licensed under Creative Common Attribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0 (https://creativecommons.org/licenses/by-nc-nd/4.0/) )
spellingShingle Database Analysis
Jia, Lin
Zhou, Haiyan
Li, Wenhao
Lv, Zhantai
Network Pharmacology Integrated Molecular Docking Revealed the Mechanism of Jianpi Yiqi Taohua Decoction Against Ulcerative Colitis
title Network Pharmacology Integrated Molecular Docking Revealed the Mechanism of Jianpi Yiqi Taohua Decoction Against Ulcerative Colitis
title_full Network Pharmacology Integrated Molecular Docking Revealed the Mechanism of Jianpi Yiqi Taohua Decoction Against Ulcerative Colitis
title_fullStr Network Pharmacology Integrated Molecular Docking Revealed the Mechanism of Jianpi Yiqi Taohua Decoction Against Ulcerative Colitis
title_full_unstemmed Network Pharmacology Integrated Molecular Docking Revealed the Mechanism of Jianpi Yiqi Taohua Decoction Against Ulcerative Colitis
title_short Network Pharmacology Integrated Molecular Docking Revealed the Mechanism of Jianpi Yiqi Taohua Decoction Against Ulcerative Colitis
title_sort network pharmacology integrated molecular docking revealed the mechanism of jianpi yiqi taohua decoction against ulcerative colitis
topic Database Analysis
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8862153/
https://www.ncbi.nlm.nih.gov/pubmed/35173140
http://dx.doi.org/10.12659/MSM.933537
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