Potential Mechanism of Dingji Fumai Decoction Against Atrial Fibrillation Based on Network Pharmacology, Molecular Docking, and Experimental Verification Integration Strategy

Background: Dingji Fumai Decoction (DFD), a traditional herbal mixture, has been widely used to treat arrhythmia in clinical practice in China. However, the exploration of the active components and underlying mechanism of DFD in treating atrial fibrillation (AF) is still scarce.Methods: Compounds of...

Descripción completa

Guardado en:

Detalles Bibliográficos
Autores principales:	Yi Liang, Bo Liang, Wen Chen, Xin-Rui Wu, Wu-Sha Liu-Huo, Li-Zhi Zhao
Formato:	article
Lenguaje:	EN
Publicado:	Frontiers Media S.A. 2021
Materias:	Dingji Fumai Decoction traditional Chinese medicine atrial fibrillation network pharmacology molecular docking experimental verification Diseases of the circulatory (Cardiovascular) system RC666-701
Acceso en línea:	https://doaj.org/article/72b1e9d60b2e410cbcf48fe029480f10
Etiquetas:	Agregar Etiqueta Sin Etiquetas, Sea el primero en etiquetar este registro!

id	oai:doaj.org-article:72b1e9d60b2e410cbcf48fe029480f10
record_format	dspace
spelling	oai:doaj.org-article:72b1e9d60b2e410cbcf48fe029480f102021-11-11T05:48:38ZPotential Mechanism of Dingji Fumai Decoction Against Atrial Fibrillation Based on Network Pharmacology, Molecular Docking, and Experimental Verification Integration Strategy2297-055X10.3389/fcvm.2021.712398https://doaj.org/article/72b1e9d60b2e410cbcf48fe029480f102021-11-01T00:00:00Zhttps://www.frontiersin.org/articles/10.3389/fcvm.2021.712398/fullhttps://doaj.org/toc/2297-055XBackground: Dingji Fumai Decoction (DFD), a traditional herbal mixture, has been widely used to treat arrhythmia in clinical practice in China. However, the exploration of the active components and underlying mechanism of DFD in treating atrial fibrillation (AF) is still scarce.Methods: Compounds of DFD were collected from TCMSP, ETCM, and literature. The targets of active compounds were explored using SwissTargetPrediction. Meanwhile, targets of AF were collected from DrugBank, TTD, MalaCards, TCMSP, DisGeNET, and OMIM. Then, the H-C-T-D and PPI networks were constructed using STRING and analyzed using CytoNCA. Meanwhile, VarElect was utilized to detect the correlation between targets and diseases. Next, Metascape was employed for systematic analysis of the mechanism of potential targets and protein complexes in treating AF. AutoDock Vina, Pymol, and Discovery Studio were applied for molecular docking. Finally, the main findings were validated through molecular biology experiments.Results: A total of 168 active compounds and 1,093 targets of DFD were collected, and there were 89 shared targets between DFD and AF. H-C-T-D network showed the relationships among DFD, active compounds, targets, and AF. Three functional protein complexes of DFD were extracted from the PPI network. Further systematic analysis revealed that the regulation of cardiac oxidative stress, cardiac inflammation, and cardiac ion channels were the potential mechanism of DFD in treating AF. Addtionally, molecular docking verified the interactions between active compounds and targets. Finally, we found that DFD significantly increased the level of SIRT1 and reduced the levels of ACE, VCAM-1, and IL-6.Conclusions: DFD could be utilized in treating AF through a complicated mechanism, including interactions between related active compounds and targets, promoting the explanation and understanding of the molecular biological mechanism of DFD in the treatment of AF.Yi LiangBo LiangWen ChenXin-Rui WuWu-Sha Liu-HuoLi-Zhi ZhaoFrontiers Media S.A.articleDingji Fumai Decoctiontraditional Chinese medicineatrial fibrillationnetwork pharmacologymolecular dockingexperimental verificationDiseases of the circulatory (Cardiovascular) systemRC666-701ENFrontiers in Cardiovascular Medicine, Vol 8 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Dingji Fumai Decoction traditional Chinese medicine atrial fibrillation network pharmacology molecular docking experimental verification Diseases of the circulatory (Cardiovascular) system RC666-701
spellingShingle	Dingji Fumai Decoction traditional Chinese medicine atrial fibrillation network pharmacology molecular docking experimental verification Diseases of the circulatory (Cardiovascular) system RC666-701 Yi Liang Bo Liang Wen Chen Xin-Rui Wu Wu-Sha Liu-Huo Li-Zhi Zhao Potential Mechanism of Dingji Fumai Decoction Against Atrial Fibrillation Based on Network Pharmacology, Molecular Docking, and Experimental Verification Integration Strategy
description	Background: Dingji Fumai Decoction (DFD), a traditional herbal mixture, has been widely used to treat arrhythmia in clinical practice in China. However, the exploration of the active components and underlying mechanism of DFD in treating atrial fibrillation (AF) is still scarce.Methods: Compounds of DFD were collected from TCMSP, ETCM, and literature. The targets of active compounds were explored using SwissTargetPrediction. Meanwhile, targets of AF were collected from DrugBank, TTD, MalaCards, TCMSP, DisGeNET, and OMIM. Then, the H-C-T-D and PPI networks were constructed using STRING and analyzed using CytoNCA. Meanwhile, VarElect was utilized to detect the correlation between targets and diseases. Next, Metascape was employed for systematic analysis of the mechanism of potential targets and protein complexes in treating AF. AutoDock Vina, Pymol, and Discovery Studio were applied for molecular docking. Finally, the main findings were validated through molecular biology experiments.Results: A total of 168 active compounds and 1,093 targets of DFD were collected, and there were 89 shared targets between DFD and AF. H-C-T-D network showed the relationships among DFD, active compounds, targets, and AF. Three functional protein complexes of DFD were extracted from the PPI network. Further systematic analysis revealed that the regulation of cardiac oxidative stress, cardiac inflammation, and cardiac ion channels were the potential mechanism of DFD in treating AF. Addtionally, molecular docking verified the interactions between active compounds and targets. Finally, we found that DFD significantly increased the level of SIRT1 and reduced the levels of ACE, VCAM-1, and IL-6.Conclusions: DFD could be utilized in treating AF through a complicated mechanism, including interactions between related active compounds and targets, promoting the explanation and understanding of the molecular biological mechanism of DFD in the treatment of AF.
format	article
author	Yi Liang Bo Liang Wen Chen Xin-Rui Wu Wu-Sha Liu-Huo Li-Zhi Zhao
author_facet	Yi Liang Bo Liang Wen Chen Xin-Rui Wu Wu-Sha Liu-Huo Li-Zhi Zhao
author_sort	Yi Liang
title	Potential Mechanism of Dingji Fumai Decoction Against Atrial Fibrillation Based on Network Pharmacology, Molecular Docking, and Experimental Verification Integration Strategy
title_short	Potential Mechanism of Dingji Fumai Decoction Against Atrial Fibrillation Based on Network Pharmacology, Molecular Docking, and Experimental Verification Integration Strategy
title_full	Potential Mechanism of Dingji Fumai Decoction Against Atrial Fibrillation Based on Network Pharmacology, Molecular Docking, and Experimental Verification Integration Strategy
title_fullStr	Potential Mechanism of Dingji Fumai Decoction Against Atrial Fibrillation Based on Network Pharmacology, Molecular Docking, and Experimental Verification Integration Strategy
title_full_unstemmed	Potential Mechanism of Dingji Fumai Decoction Against Atrial Fibrillation Based on Network Pharmacology, Molecular Docking, and Experimental Verification Integration Strategy
title_sort	potential mechanism of dingji fumai decoction against atrial fibrillation based on network pharmacology, molecular docking, and experimental verification integration strategy
publisher	Frontiers Media S.A.
publishDate	2021
url	https://doaj.org/article/72b1e9d60b2e410cbcf48fe029480f10
work_keys_str_mv	AT yiliang potentialmechanismofdingjifumaidecoctionagainstatrialfibrillationbasedonnetworkpharmacologymoleculardockingandexperimentalverificationintegrationstrategy AT boliang potentialmechanismofdingjifumaidecoctionagainstatrialfibrillationbasedonnetworkpharmacologymoleculardockingandexperimentalverificationintegrationstrategy AT wenchen potentialmechanismofdingjifumaidecoctionagainstatrialfibrillationbasedonnetworkpharmacologymoleculardockingandexperimentalverificationintegrationstrategy AT xinruiwu potentialmechanismofdingjifumaidecoctionagainstatrialfibrillationbasedonnetworkpharmacologymoleculardockingandexperimentalverificationintegrationstrategy AT wushaliuhuo potentialmechanismofdingjifumaidecoctionagainstatrialfibrillationbasedonnetworkpharmacologymoleculardockingandexperimentalverificationintegrationstrategy AT lizhizhao potentialmechanismofdingjifumaidecoctionagainstatrialfibrillationbasedonnetworkpharmacologymoleculardockingandexperimentalverificationintegrationstrategy
_version_	1718439500756025344

Potential Mechanism of Dingji Fumai Decoction Against Atrial Fibrillation Based on Network Pharmacology, Molecular Docking, and Experimental Verification Integration Strategy

Ejemplares similares