Integrated Strategy From In Vitro, In Situ, In Vivo to In Silico for Predicting Active Constituents and Exploring Molecular Mechanisms of Tongfengding Capsule for Treating Gout by Inhibiting Inflammatory Responses

The study of screening active constituents from traditional Chinese medicine (TCM) is important for explicating the mechanism of action of TCM and further evaluating the safety and efficacy effectively. However, detecting and identifying the active constituents from complicated biological samples st...

Descripción completa

Guardado en:

Detalles Bibliográficos
Autores principales:	Wenning Yang, Xiaoquan Jiang, Jingtong Liu, Dongying Qi, Zhiqiang Luo, Guohua Yu, Xueyan Li, Muli Sen, Hongjiao Chen, Wei Liu, Yang Liu, Guopeng Wang
Formato:	article
Lenguaje:	EN
Publicado:	Frontiers Media S.A. 2021
Materias:	Tongfengding capsule UPLC-Q Exactive-Orbitrap HRMS absorbed components target network pharmacology intestinal perfusion with venous sampling Therapeutics. Pharmacology RM1-950
Acceso en línea:	https://doaj.org/article/2bc12823091d48f2990e3512d25c78fe
Etiquetas:	Agregar Etiqueta Sin Etiquetas, Sea el primero en etiquetar este registro!

id	oai:doaj.org-article:2bc12823091d48f2990e3512d25c78fe
record_format	dspace
spelling	oai:doaj.org-article:2bc12823091d48f2990e3512d25c78fe2021-12-01T13:10:49ZIntegrated Strategy From In Vitro, In Situ, In Vivo to In Silico for Predicting Active Constituents and Exploring Molecular Mechanisms of Tongfengding Capsule for Treating Gout by Inhibiting Inflammatory Responses1663-981210.3389/fphar.2021.759157https://doaj.org/article/2bc12823091d48f2990e3512d25c78fe2021-11-01T00:00:00Zhttps://www.frontiersin.org/articles/10.3389/fphar.2021.759157/fullhttps://doaj.org/toc/1663-9812The study of screening active constituents from traditional Chinese medicine (TCM) is important for explicating the mechanism of action of TCM and further evaluating the safety and efficacy effectively. However, detecting and identifying the active constituents from complicated biological samples still remain a challenge. Here, a practical, quick, and novel integrated strategy from in vitro, in situ, in vivo to in silico for rapidly screening the active constituents was developed. Firstly, the chemical profile of TCM in vitro was identified using UPLC-Q Exactive-Orbitrap HRMS. Secondly, the in situ intestinal perfusion with venous sampling (IPVS) method was used to investigate the intestinal absorption components. Thirdly, after intragastric administration of the TCM extract, the in vivo absorbed prototype components were detected and identified. Finally, the target network pharmacology approach was applied to explore the potential targets and possible mechanisms of the absorbed components from TCM. The reliability and availability of this approach was demonstrated using Tongfengding capsule (TFDC) as an example of herbal medicine. A total of 141 compounds were detected and identified in TFDC, and among them, 64 components were absorbed into the plasma. Then, a total of 35 absorbed bioactive components and 50 related targets shared commonly by compounds and gout were integrated via target network pharmacology analysis. Ultimately, the effects of the absorbed components on metabolism pathways were verified by experiments. These results demonstrated that this original method may provide a practical tool for screening bioactive compounds from TCM treating particular diseases. Furthermore, it also can clarify the potential mechanism of action of TCM and rationalize the application of TFDC as an effective herbal therapy for gout.Wenning YangXiaoquan JiangJingtong LiuDongying QiZhiqiang LuoGuohua YuXueyan LiMuli SenHongjiao ChenWei LiuYang LiuGuopeng WangFrontiers Media S.A.articleTongfengding capsuleUPLC-Q Exactive-Orbitrap HRMSabsorbed componentstarget network pharmacologyintestinal perfusion with venous samplingTherapeutics. PharmacologyRM1-950ENFrontiers in Pharmacology, Vol 12 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Tongfengding capsule UPLC-Q Exactive-Orbitrap HRMS absorbed components target network pharmacology intestinal perfusion with venous sampling Therapeutics. Pharmacology RM1-950
spellingShingle	Tongfengding capsule UPLC-Q Exactive-Orbitrap HRMS absorbed components target network pharmacology intestinal perfusion with venous sampling Therapeutics. Pharmacology RM1-950 Wenning Yang Xiaoquan Jiang Jingtong Liu Dongying Qi Zhiqiang Luo Guohua Yu Xueyan Li Muli Sen Hongjiao Chen Wei Liu Yang Liu Guopeng Wang Integrated Strategy From In Vitro, In Situ, In Vivo to In Silico for Predicting Active Constituents and Exploring Molecular Mechanisms of Tongfengding Capsule for Treating Gout by Inhibiting Inflammatory Responses
description	The study of screening active constituents from traditional Chinese medicine (TCM) is important for explicating the mechanism of action of TCM and further evaluating the safety and efficacy effectively. However, detecting and identifying the active constituents from complicated biological samples still remain a challenge. Here, a practical, quick, and novel integrated strategy from in vitro, in situ, in vivo to in silico for rapidly screening the active constituents was developed. Firstly, the chemical profile of TCM in vitro was identified using UPLC-Q Exactive-Orbitrap HRMS. Secondly, the in situ intestinal perfusion with venous sampling (IPVS) method was used to investigate the intestinal absorption components. Thirdly, after intragastric administration of the TCM extract, the in vivo absorbed prototype components were detected and identified. Finally, the target network pharmacology approach was applied to explore the potential targets and possible mechanisms of the absorbed components from TCM. The reliability and availability of this approach was demonstrated using Tongfengding capsule (TFDC) as an example of herbal medicine. A total of 141 compounds were detected and identified in TFDC, and among them, 64 components were absorbed into the plasma. Then, a total of 35 absorbed bioactive components and 50 related targets shared commonly by compounds and gout were integrated via target network pharmacology analysis. Ultimately, the effects of the absorbed components on metabolism pathways were verified by experiments. These results demonstrated that this original method may provide a practical tool for screening bioactive compounds from TCM treating particular diseases. Furthermore, it also can clarify the potential mechanism of action of TCM and rationalize the application of TFDC as an effective herbal therapy for gout.
format	article
author	Wenning Yang Xiaoquan Jiang Jingtong Liu Dongying Qi Zhiqiang Luo Guohua Yu Xueyan Li Muli Sen Hongjiao Chen Wei Liu Yang Liu Guopeng Wang
author_facet	Wenning Yang Xiaoquan Jiang Jingtong Liu Dongying Qi Zhiqiang Luo Guohua Yu Xueyan Li Muli Sen Hongjiao Chen Wei Liu Yang Liu Guopeng Wang
author_sort	Wenning Yang
title	Integrated Strategy From In Vitro, In Situ, In Vivo to In Silico for Predicting Active Constituents and Exploring Molecular Mechanisms of Tongfengding Capsule for Treating Gout by Inhibiting Inflammatory Responses
title_short	Integrated Strategy From In Vitro, In Situ, In Vivo to In Silico for Predicting Active Constituents and Exploring Molecular Mechanisms of Tongfengding Capsule for Treating Gout by Inhibiting Inflammatory Responses
title_full	Integrated Strategy From In Vitro, In Situ, In Vivo to In Silico for Predicting Active Constituents and Exploring Molecular Mechanisms of Tongfengding Capsule for Treating Gout by Inhibiting Inflammatory Responses
title_fullStr	Integrated Strategy From In Vitro, In Situ, In Vivo to In Silico for Predicting Active Constituents and Exploring Molecular Mechanisms of Tongfengding Capsule for Treating Gout by Inhibiting Inflammatory Responses
title_full_unstemmed	Integrated Strategy From In Vitro, In Situ, In Vivo to In Silico for Predicting Active Constituents and Exploring Molecular Mechanisms of Tongfengding Capsule for Treating Gout by Inhibiting Inflammatory Responses
title_sort	integrated strategy from in vitro, in situ, in vivo to in silico for predicting active constituents and exploring molecular mechanisms of tongfengding capsule for treating gout by inhibiting inflammatory responses
publisher	Frontiers Media S.A.
publishDate	2021
url	https://doaj.org/article/2bc12823091d48f2990e3512d25c78fe
work_keys_str_mv	AT wenningyang integratedstrategyfrominvitroinsituinvivotoinsilicoforpredictingactiveconstituentsandexploringmolecularmechanismsoftongfengdingcapsulefortreatinggoutbyinhibitinginflammatoryresponses AT xiaoquanjiang integratedstrategyfrominvitroinsituinvivotoinsilicoforpredictingactiveconstituentsandexploringmolecularmechanismsoftongfengdingcapsulefortreatinggoutbyinhibitinginflammatoryresponses AT jingtongliu integratedstrategyfrominvitroinsituinvivotoinsilicoforpredictingactiveconstituentsandexploringmolecularmechanismsoftongfengdingcapsulefortreatinggoutbyinhibitinginflammatoryresponses AT dongyingqi integratedstrategyfrominvitroinsituinvivotoinsilicoforpredictingactiveconstituentsandexploringmolecularmechanismsoftongfengdingcapsulefortreatinggoutbyinhibitinginflammatoryresponses AT zhiqiangluo integratedstrategyfrominvitroinsituinvivotoinsilicoforpredictingactiveconstituentsandexploringmolecularmechanismsoftongfengdingcapsulefortreatinggoutbyinhibitinginflammatoryresponses AT guohuayu integratedstrategyfrominvitroinsituinvivotoinsilicoforpredictingactiveconstituentsandexploringmolecularmechanismsoftongfengdingcapsulefortreatinggoutbyinhibitinginflammatoryresponses AT xueyanli integratedstrategyfrominvitroinsituinvivotoinsilicoforpredictingactiveconstituentsandexploringmolecularmechanismsoftongfengdingcapsulefortreatinggoutbyinhibitinginflammatoryresponses AT mulisen integratedstrategyfrominvitroinsituinvivotoinsilicoforpredictingactiveconstituentsandexploringmolecularmechanismsoftongfengdingcapsulefortreatinggoutbyinhibitinginflammatoryresponses AT hongjiaochen integratedstrategyfrominvitroinsituinvivotoinsilicoforpredictingactiveconstituentsandexploringmolecularmechanismsoftongfengdingcapsulefortreatinggoutbyinhibitinginflammatoryresponses AT weiliu integratedstrategyfrominvitroinsituinvivotoinsilicoforpredictingactiveconstituentsandexploringmolecularmechanismsoftongfengdingcapsulefortreatinggoutbyinhibitinginflammatoryresponses AT yangliu integratedstrategyfrominvitroinsituinvivotoinsilicoforpredictingactiveconstituentsandexploringmolecularmechanismsoftongfengdingcapsulefortreatinggoutbyinhibitinginflammatoryresponses AT guopengwang integratedstrategyfrominvitroinsituinvivotoinsilicoforpredictingactiveconstituentsandexploringmolecularmechanismsoftongfengdingcapsulefortreatinggoutbyinhibitinginflammatoryresponses
_version_	1718405165011173376

Integrated Strategy From In Vitro, In Situ, In Vivo to In Silico for Predicting Active Constituents and Exploring Molecular Mechanisms of Tongfengding Capsule for Treating Gout by Inhibiting Inflammatory Responses

Ejemplares similares