A Systems Pharmacology Approach to Determine Active Compounds and Action Mechanisms of Xipayi KuiJie’an enema for Treatment of Ulcerative colitis

Abstract Xipayi Kui Jie’an (KJA), a type of traditional Uygur medicine (TUM), has shown promising therapeutic effects in Ulcerative colitis (UC). Owing to the complexity of TUM, the pharmacological mechanism of KJA remains vague. Therefore, the identification of complex molecular mechanisms is a maj...

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Autores principales:	Wei Yu, Zhihong Li, Fei Long, Wen Chen, Yurong Geng, Zhiyong Xie, Meicun Yao, Bo Han, Teigang Liu
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2017
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/db6d633bb21c4f07bad806cc1c73b82e
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spelling	oai:doaj.org-article:db6d633bb21c4f07bad806cc1c73b82e2021-12-02T11:52:25ZA Systems Pharmacology Approach to Determine Active Compounds and Action Mechanisms of Xipayi KuiJie’an enema for Treatment of Ulcerative colitis10.1038/s41598-017-01335-w2045-2322https://doaj.org/article/db6d633bb21c4f07bad806cc1c73b82e2017-04-01T00:00:00Zhttps://doi.org/10.1038/s41598-017-01335-whttps://doaj.org/toc/2045-2322Abstract Xipayi Kui Jie’an (KJA), a type of traditional Uygur medicine (TUM), has shown promising therapeutic effects in Ulcerative colitis (UC). Owing to the complexity of TUM, the pharmacological mechanism of KJA remains vague. Therefore, the identification of complex molecular mechanisms is a major challenge and a new method is urgently needed to address this problem. In this study, we established a feasible pharmacological model based on systems pharmacology to identify potential compounds and targets. We also applied compound-target and target-diseases network analysis to evaluate the action mechanisms. According to the predicted results, 12 active compounds were selected and these compounds were also identified by HPLC-ESI-MS/MS analysis. The main components were tannins, this result is consistent with the prediction. The active compounds interacted with 22 targets. Two targets including PTGS2 and PPARG were demonstrated to be the main targets associated with UC. Systematic analysis of the constructed networks revealed that these targets were mainly involved in NF-κB signaling pathway. Furthermore, KJA could also regulate the CD4 + CD25 + Foxp3 + Treg cells. In conclusion, this systems pharmacology-based approach not only explained that KJA could alleviate the UC by regulating its candidate targets, but also gave new insights into the potential novel therapeutic strategies for UC.Wei YuZhihong LiFei LongWen ChenYurong GengZhiyong XieMeicun YaoBo HanTeigang LiuNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 7, Iss 1, Pp 1-16 (2017)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Wei Yu Zhihong Li Fei Long Wen Chen Yurong Geng Zhiyong Xie Meicun Yao Bo Han Teigang Liu A Systems Pharmacology Approach to Determine Active Compounds and Action Mechanisms of Xipayi KuiJie’an enema for Treatment of Ulcerative colitis
description	Abstract Xipayi Kui Jie’an (KJA), a type of traditional Uygur medicine (TUM), has shown promising therapeutic effects in Ulcerative colitis (UC). Owing to the complexity of TUM, the pharmacological mechanism of KJA remains vague. Therefore, the identification of complex molecular mechanisms is a major challenge and a new method is urgently needed to address this problem. In this study, we established a feasible pharmacological model based on systems pharmacology to identify potential compounds and targets. We also applied compound-target and target-diseases network analysis to evaluate the action mechanisms. According to the predicted results, 12 active compounds were selected and these compounds were also identified by HPLC-ESI-MS/MS analysis. The main components were tannins, this result is consistent with the prediction. The active compounds interacted with 22 targets. Two targets including PTGS2 and PPARG were demonstrated to be the main targets associated with UC. Systematic analysis of the constructed networks revealed that these targets were mainly involved in NF-κB signaling pathway. Furthermore, KJA could also regulate the CD4 + CD25 + Foxp3 + Treg cells. In conclusion, this systems pharmacology-based approach not only explained that KJA could alleviate the UC by regulating its candidate targets, but also gave new insights into the potential novel therapeutic strategies for UC.
format	article
author	Wei Yu Zhihong Li Fei Long Wen Chen Yurong Geng Zhiyong Xie Meicun Yao Bo Han Teigang Liu
author_facet	Wei Yu Zhihong Li Fei Long Wen Chen Yurong Geng Zhiyong Xie Meicun Yao Bo Han Teigang Liu
author_sort	Wei Yu
title	A Systems Pharmacology Approach to Determine Active Compounds and Action Mechanisms of Xipayi KuiJie’an enema for Treatment of Ulcerative colitis
title_short	A Systems Pharmacology Approach to Determine Active Compounds and Action Mechanisms of Xipayi KuiJie’an enema for Treatment of Ulcerative colitis
title_full	A Systems Pharmacology Approach to Determine Active Compounds and Action Mechanisms of Xipayi KuiJie’an enema for Treatment of Ulcerative colitis
title_fullStr	A Systems Pharmacology Approach to Determine Active Compounds and Action Mechanisms of Xipayi KuiJie’an enema for Treatment of Ulcerative colitis
title_full_unstemmed	A Systems Pharmacology Approach to Determine Active Compounds and Action Mechanisms of Xipayi KuiJie’an enema for Treatment of Ulcerative colitis
title_sort	systems pharmacology approach to determine active compounds and action mechanisms of xipayi kuijie’an enema for treatment of ulcerative colitis
publisher	Nature Portfolio
publishDate	2017
url	https://doaj.org/article/db6d633bb21c4f07bad806cc1c73b82e
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A Systems Pharmacology Approach to Determine Active Compounds and Action Mechanisms of Xipayi KuiJie’an enema for Treatment of Ulcerative colitis

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