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Mechanism of action of Huangbaichen Sanwei formulation in treating T2DM based on network pharmacology and molecular docking

Huangbaichen Sanwei formulation (HBCS) has been reported to have a good hypoglycemic effect, but its pharmacological mechanism of action remains unclear. We used network pharmacology and molecular docking to explore the potential mechanism of action of HBCS against type-2 diabetes mellitus (T2DM). F...

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Autores principales: Li, Chunnan, Shen, Jiaming, Jing, Xiaolong, Zhang, Kaiyue, Liu, Lu, Wang, Yuelong, Zhang, Hui, Sun, Jiaming
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Lippincott Williams & Wilkins 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10659618/
https://www.ncbi.nlm.nih.gov/pubmed/37986298
http://dx.doi.org/10.1097/MD.0000000000036146
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author Li, Chunnan
Shen, Jiaming
Jing, Xiaolong
Zhang, Kaiyue
Liu, Lu
Wang, Yuelong
Zhang, Hui
Sun, Jiaming
author_facet Li, Chunnan
Shen, Jiaming
Jing, Xiaolong
Zhang, Kaiyue
Liu, Lu
Wang, Yuelong
Zhang, Hui
Sun, Jiaming
author_sort Li, Chunnan
collection PubMed
description Huangbaichen Sanwei formulation (HBCS) has been reported to have a good hypoglycemic effect, but its pharmacological mechanism of action remains unclear. We used network pharmacology and molecular docking to explore the potential mechanism of action of HBCS against type-2 diabetes mellitus (T2DM). Fifty-five active components from HBCS interfered with T2DM. Twenty-five core targets, such as AKT1, INS, INSR, MAPK1 were identified. Enrichment analyses showed that HBCS was involved mainly including insulin receptor signaling pathway, extracellular region, and insulin-like growth factor receptor binding and other biological processes; common targets had roles in treating T2DM by regulating diabetic cardiomyopathy and insulin resistance. Molecular docking verified that components combined with core targets. HBCS play a part in treating T2DM through multiple components and targets at the molecular level, which lays a theoretical foundation for research using HBCS to treat T2DM. The components, predicted targets, and T2DM targets of HBCS were searched through databases, and common targets were determined. Further screening of the core targets was conducted through the establishment of a protein -protein interaction network. The core targets were analyzed by Gene Ontology (GO) annotation utilizing the DAVID platform. And the enrichment of signaling pathways was explored by employing the Kyoto Encyclopedia of Genes and Genomes (KEGG) database. Cytoscape 3.9.1 was employed to construct a “TCM-components-core target-pathway” network. Autodock Vina was used to dock molecules to compare the binding activity of active molecules with targets.
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spelling pubmed-106596182023-11-17 Mechanism of action of Huangbaichen Sanwei formulation in treating T2DM based on network pharmacology and molecular docking Li, Chunnan Shen, Jiaming Jing, Xiaolong Zhang, Kaiyue Liu, Lu Wang, Yuelong Zhang, Hui Sun, Jiaming Medicine (Baltimore) 4300 Huangbaichen Sanwei formulation (HBCS) has been reported to have a good hypoglycemic effect, but its pharmacological mechanism of action remains unclear. We used network pharmacology and molecular docking to explore the potential mechanism of action of HBCS against type-2 diabetes mellitus (T2DM). Fifty-five active components from HBCS interfered with T2DM. Twenty-five core targets, such as AKT1, INS, INSR, MAPK1 were identified. Enrichment analyses showed that HBCS was involved mainly including insulin receptor signaling pathway, extracellular region, and insulin-like growth factor receptor binding and other biological processes; common targets had roles in treating T2DM by regulating diabetic cardiomyopathy and insulin resistance. Molecular docking verified that components combined with core targets. HBCS play a part in treating T2DM through multiple components and targets at the molecular level, which lays a theoretical foundation for research using HBCS to treat T2DM. The components, predicted targets, and T2DM targets of HBCS were searched through databases, and common targets were determined. Further screening of the core targets was conducted through the establishment of a protein -protein interaction network. The core targets were analyzed by Gene Ontology (GO) annotation utilizing the DAVID platform. And the enrichment of signaling pathways was explored by employing the Kyoto Encyclopedia of Genes and Genomes (KEGG) database. Cytoscape 3.9.1 was employed to construct a “TCM-components-core target-pathway” network. Autodock Vina was used to dock molecules to compare the binding activity of active molecules with targets. Lippincott Williams & Wilkins 2023-11-17 /pmc/articles/PMC10659618/ /pubmed/37986298 http://dx.doi.org/10.1097/MD.0000000000036146 Text en Copyright © 2023 the Author(s). Published by Wolters Kluwer Health, Inc. https://creativecommons.org/licenses/by-nc/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution-Non Commercial License 4.0 (CCBY-NC) (https://creativecommons.org/licenses/by-nc/4.0/) , where it is permissible to download, share, remix, transform, and buildup the work provided it is properly cited. The work cannot be used commercially without permission from the journal.
spellingShingle 4300
Li, Chunnan
Shen, Jiaming
Jing, Xiaolong
Zhang, Kaiyue
Liu, Lu
Wang, Yuelong
Zhang, Hui
Sun, Jiaming
Mechanism of action of Huangbaichen Sanwei formulation in treating T2DM based on network pharmacology and molecular docking
title Mechanism of action of Huangbaichen Sanwei formulation in treating T2DM based on network pharmacology and molecular docking
title_full Mechanism of action of Huangbaichen Sanwei formulation in treating T2DM based on network pharmacology and molecular docking
title_fullStr Mechanism of action of Huangbaichen Sanwei formulation in treating T2DM based on network pharmacology and molecular docking
title_full_unstemmed Mechanism of action of Huangbaichen Sanwei formulation in treating T2DM based on network pharmacology and molecular docking
title_short Mechanism of action of Huangbaichen Sanwei formulation in treating T2DM based on network pharmacology and molecular docking
title_sort mechanism of action of huangbaichen sanwei formulation in treating t2dm based on network pharmacology and molecular docking
topic 4300
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10659618/
https://www.ncbi.nlm.nih.gov/pubmed/37986298
http://dx.doi.org/10.1097/MD.0000000000036146
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