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Mechanism of Epimedium intervention in heart failure based on network pharmacology and molecular docking technology

To analyze the pharmacological mechanism of Epimedium in regulating heart failure (HF) based on the network pharmacology method, and to provide a reference for the clinical application of Epimedium in treating HF. Obtaining the main active ingredients and their targets of Epimedium through TCMSP (Tr...

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Autores principales: Boyang, Chen, Yuexing, Li, Yiping, Yan, Haiyang, Yu, Lingjie, Zhao, Liancheng, Guan, Xufei, Zhang, Jie, Zhao, Yunzhi, Chen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Lippincott Williams & Wilkins 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9704970/
https://www.ncbi.nlm.nih.gov/pubmed/36451478
http://dx.doi.org/10.1097/MD.0000000000032059
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author Boyang, Chen
Yuexing, Li
Yiping, Yan
Haiyang, Yu
Lingjie, Zhao
Liancheng, Guan
Xufei, Zhang
Jie, Zhao
Yunzhi, Chen
author_facet Boyang, Chen
Yuexing, Li
Yiping, Yan
Haiyang, Yu
Lingjie, Zhao
Liancheng, Guan
Xufei, Zhang
Jie, Zhao
Yunzhi, Chen
author_sort Boyang, Chen
collection PubMed
description To analyze the pharmacological mechanism of Epimedium in regulating heart failure (HF) based on the network pharmacology method, and to provide a reference for the clinical application of Epimedium in treating HF. Obtaining the main active ingredients and their targets of Epimedium through TCMSP (Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform) database. Access to major HF targets through Genecards, OMIM, PharmGKB, Therapeutic Target Database, Drug Bank database. Protein interaction analysis using String platform and construction of PPI network. Subsequently, Cytoscape software was used to construct the “Epimedium active ingredient-heart failure target” network. Finally, the molecular docking is verified through the Systems Dock Web Site. The core active ingredients of Epimedium to regulate HF are quercetin, luteolin, kaempferol, etc. The core targets are JUN, MYC, TP53, HIF1A, ESR1, RELA, MAPK1, etc. Molecular docking validation showed better binding activity of the major targets of HF to the core components of Epimedium. The biological pathways that Epimedium regulates HF mainly act on lipid and atherosclerotic pathways, PI3K-Akt signaling pathway, and chemoattractant-receptor activation. And its molecular functions are mainly DNA-binding transcription factor binding, RNA polymerase II-specific DNA-binding transcription factor binding, and neurotransmitter receptor activity. This study reveals the multi-component, multi-target and multi-pathway mechanism of action of Epimedium in regulating mental failure, and provides a basis for the clinical development and utilization of Epimedium to intervene in HF.
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spelling pubmed-97049702022-11-29 Mechanism of Epimedium intervention in heart failure based on network pharmacology and molecular docking technology Boyang, Chen Yuexing, Li Yiping, Yan Haiyang, Yu Lingjie, Zhao Liancheng, Guan Xufei, Zhang Jie, Zhao Yunzhi, Chen Medicine (Baltimore) 3400 To analyze the pharmacological mechanism of Epimedium in regulating heart failure (HF) based on the network pharmacology method, and to provide a reference for the clinical application of Epimedium in treating HF. Obtaining the main active ingredients and their targets of Epimedium through TCMSP (Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform) database. Access to major HF targets through Genecards, OMIM, PharmGKB, Therapeutic Target Database, Drug Bank database. Protein interaction analysis using String platform and construction of PPI network. Subsequently, Cytoscape software was used to construct the “Epimedium active ingredient-heart failure target” network. Finally, the molecular docking is verified through the Systems Dock Web Site. The core active ingredients of Epimedium to regulate HF are quercetin, luteolin, kaempferol, etc. The core targets are JUN, MYC, TP53, HIF1A, ESR1, RELA, MAPK1, etc. Molecular docking validation showed better binding activity of the major targets of HF to the core components of Epimedium. The biological pathways that Epimedium regulates HF mainly act on lipid and atherosclerotic pathways, PI3K-Akt signaling pathway, and chemoattractant-receptor activation. And its molecular functions are mainly DNA-binding transcription factor binding, RNA polymerase II-specific DNA-binding transcription factor binding, and neurotransmitter receptor activity. This study reveals the multi-component, multi-target and multi-pathway mechanism of action of Epimedium in regulating mental failure, and provides a basis for the clinical development and utilization of Epimedium to intervene in HF. Lippincott Williams & Wilkins 2022-11-25 /pmc/articles/PMC9704970/ /pubmed/36451478 http://dx.doi.org/10.1097/MD.0000000000032059 Text en Copyright © 2022 the Author(s). Published by Wolters Kluwer Health, Inc. https://creativecommons.org/licenses/by/4.0/This is an open access article distributed under the Creative Commons Attribution License 4.0 (CCBY) (https://creativecommons.org/licenses/by/4.0/) , which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
spellingShingle 3400
Boyang, Chen
Yuexing, Li
Yiping, Yan
Haiyang, Yu
Lingjie, Zhao
Liancheng, Guan
Xufei, Zhang
Jie, Zhao
Yunzhi, Chen
Mechanism of Epimedium intervention in heart failure based on network pharmacology and molecular docking technology
title Mechanism of Epimedium intervention in heart failure based on network pharmacology and molecular docking technology
title_full Mechanism of Epimedium intervention in heart failure based on network pharmacology and molecular docking technology
title_fullStr Mechanism of Epimedium intervention in heart failure based on network pharmacology and molecular docking technology
title_full_unstemmed Mechanism of Epimedium intervention in heart failure based on network pharmacology and molecular docking technology
title_short Mechanism of Epimedium intervention in heart failure based on network pharmacology and molecular docking technology
title_sort mechanism of epimedium intervention in heart failure based on network pharmacology and molecular docking technology
topic 3400
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9704970/
https://www.ncbi.nlm.nih.gov/pubmed/36451478
http://dx.doi.org/10.1097/MD.0000000000032059
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