A systems biology-based approach to uncovering the molecular mechanisms underlying the effects of dragon's blood tablet in colitis, involving the integration of chemical analysis, ADME prediction, and network pharmacology.

Traditional Chinese medicine (TCM) is one of the oldest East Asian medical systems. The present study adopted a systems biology-based approach to provide new insights relating to the active constituents and molecular mechanisms underlying the effects of dragon's blood (DB) tablets for the treat...

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Autores principales:	Haiyu Xu, Yanqiong Zhang, Yun Lei, Xiumei Gao, Huaqiang Zhai, Na Lin, Shihuan Tang, Rixin Liang, Yan Ma, Defeng Li, Yi Zhang, Guangrong Zhu, Hongjun Yang, Luqi Huang
Formato:	article
Lenguaje:	EN
Publicado:	Public Library of Science (PLoS) 2014
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/3f5a526da7bc409789e6d3392835c6a2
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spelling	oai:doaj.org-article:3f5a526da7bc409789e6d3392835c6a22021-11-25T06:06:54ZA systems biology-based approach to uncovering the molecular mechanisms underlying the effects of dragon's blood tablet in colitis, involving the integration of chemical analysis, ADME prediction, and network pharmacology.1932-620310.1371/journal.pone.0101432https://doaj.org/article/3f5a526da7bc409789e6d3392835c6a22014-01-01T00:00:00Zhttps://www.ncbi.nlm.nih.gov/pmc/articles/pmid/25068885/pdf/?tool=EBIhttps://doaj.org/toc/1932-6203Traditional Chinese medicine (TCM) is one of the oldest East Asian medical systems. The present study adopted a systems biology-based approach to provide new insights relating to the active constituents and molecular mechanisms underlying the effects of dragon's blood (DB) tablets for the treatment of colitis. This study integrated chemical analysis, prediction of absorption, distribution, metabolism, and excretion (ADME), and network pharmacology. Firstly, a rapid, reliable, and accurate ultra-performance liquid chromatography-electrospray ionization-tandem mass spectrometry method was employed to identify 48 components of DB tablets. In silico prediction of the passive absorption of these compounds, based on Caco-2 cell permeability, and their P450 metabolism enabled the identification of 22 potentially absorbed components and 8 metabolites. Finally, networks were constructed to analyze interactions between these DB components/metabolites absorbed and their putative targets, and between the putative DB targets and known therapeutic targets for colitis. This study provided a great opportunity to deepen the understanding of the complex pharmacological mechanisms underlying the effects of DB in colitis treatment.Haiyu XuYanqiong ZhangYun LeiXiumei GaoHuaqiang ZhaiNa LinShihuan TangRixin LiangYan MaDefeng LiYi ZhangGuangrong ZhuHongjun YangLuqi HuangPublic Library of Science (PLoS)articleMedicineRScienceQENPLoS ONE, Vol 9, Iss 7, p e101432 (2014)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Haiyu Xu Yanqiong Zhang Yun Lei Xiumei Gao Huaqiang Zhai Na Lin Shihuan Tang Rixin Liang Yan Ma Defeng Li Yi Zhang Guangrong Zhu Hongjun Yang Luqi Huang A systems biology-based approach to uncovering the molecular mechanisms underlying the effects of dragon's blood tablet in colitis, involving the integration of chemical analysis, ADME prediction, and network pharmacology.
description	Traditional Chinese medicine (TCM) is one of the oldest East Asian medical systems. The present study adopted a systems biology-based approach to provide new insights relating to the active constituents and molecular mechanisms underlying the effects of dragon's blood (DB) tablets for the treatment of colitis. This study integrated chemical analysis, prediction of absorption, distribution, metabolism, and excretion (ADME), and network pharmacology. Firstly, a rapid, reliable, and accurate ultra-performance liquid chromatography-electrospray ionization-tandem mass spectrometry method was employed to identify 48 components of DB tablets. In silico prediction of the passive absorption of these compounds, based on Caco-2 cell permeability, and their P450 metabolism enabled the identification of 22 potentially absorbed components and 8 metabolites. Finally, networks were constructed to analyze interactions between these DB components/metabolites absorbed and their putative targets, and between the putative DB targets and known therapeutic targets for colitis. This study provided a great opportunity to deepen the understanding of the complex pharmacological mechanisms underlying the effects of DB in colitis treatment.
format	article
author	Haiyu Xu Yanqiong Zhang Yun Lei Xiumei Gao Huaqiang Zhai Na Lin Shihuan Tang Rixin Liang Yan Ma Defeng Li Yi Zhang Guangrong Zhu Hongjun Yang Luqi Huang
author_facet	Haiyu Xu Yanqiong Zhang Yun Lei Xiumei Gao Huaqiang Zhai Na Lin Shihuan Tang Rixin Liang Yan Ma Defeng Li Yi Zhang Guangrong Zhu Hongjun Yang Luqi Huang
author_sort	Haiyu Xu
title	A systems biology-based approach to uncovering the molecular mechanisms underlying the effects of dragon's blood tablet in colitis, involving the integration of chemical analysis, ADME prediction, and network pharmacology.
title_short	A systems biology-based approach to uncovering the molecular mechanisms underlying the effects of dragon's blood tablet in colitis, involving the integration of chemical analysis, ADME prediction, and network pharmacology.
title_full	A systems biology-based approach to uncovering the molecular mechanisms underlying the effects of dragon's blood tablet in colitis, involving the integration of chemical analysis, ADME prediction, and network pharmacology.
title_fullStr	A systems biology-based approach to uncovering the molecular mechanisms underlying the effects of dragon's blood tablet in colitis, involving the integration of chemical analysis, ADME prediction, and network pharmacology.
title_full_unstemmed	A systems biology-based approach to uncovering the molecular mechanisms underlying the effects of dragon's blood tablet in colitis, involving the integration of chemical analysis, ADME prediction, and network pharmacology.
title_sort	systems biology-based approach to uncovering the molecular mechanisms underlying the effects of dragon's blood tablet in colitis, involving the integration of chemical analysis, adme prediction, and network pharmacology.
publisher	Public Library of Science (PLoS)
publishDate	2014
url	https://doaj.org/article/3f5a526da7bc409789e6d3392835c6a2
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A systems biology-based approach to uncovering the molecular mechanisms underlying the effects of dragon's blood tablet in colitis, involving the integration of chemical analysis, ADME prediction, and network pharmacology.

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