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The mechanism of the Shuang Bai Su Qing recipe in treating periodontitis based on network pharmacology and molecular docking technology

AIM: To explore the material basis of action of the Shuang Bai Su Qing recipe in the treatment of periodontitis using network pharmacology. METHODS: Using TCMSP, we screened the chemical components of 5 drugs. The components were input into the UniProt and PubChem databases to obtain target proteins...

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Autores principales: Zhang, Haomin, Ning, Ruirui, Zhao, Yongqin, Yan, Zhao, Chen, Yongzhi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Lippincott Williams & Wilkins 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10627702/
https://www.ncbi.nlm.nih.gov/pubmed/37933027
http://dx.doi.org/10.1097/MD.0000000000035139
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author Zhang, Haomin
Ning, Ruirui
Zhao, Yongqin
Yan, Zhao
Chen, Yongzhi
author_facet Zhang, Haomin
Ning, Ruirui
Zhao, Yongqin
Yan, Zhao
Chen, Yongzhi
author_sort Zhang, Haomin
collection PubMed
description AIM: To explore the material basis of action of the Shuang Bai Su Qing recipe in the treatment of periodontitis using network pharmacology. METHODS: Using TCMSP, we screened the chemical components of 5 drugs. The components were input into the UniProt and PubChem databases to obtain target proteins; Genecards, Online Mendelian Inheritance in Man (OMIM), and CEO databases were used to screen target proteins for periodontal disease. The targets were imported into the Cytoscape software to obtain intersecting targets, and conduct visual analysis to build the PPI network. The intersecting targets were then input into the Matescape database and subjected to biological process (BP) analysis, molecular function (MF) analysis, cell component (CC) analysis, and KEGG enrichment analysis. RESULTS: Twenty-seven TCM chemical components were obtained, with 198 target proteins associated with drugs and 2587 target proteins for periodontitis. Ten core targets were identified. Gene Ontology (GO) functional enrichment analysis yielded results for 20 BP, 11 MF, and 10 CC. KEGG analysis revealed that the main mechanisms of action were related to MAPK signaling pathway. Molecular docking results showed that luteolin strongly bind to TNF, IL6, and IL1B target proteins. CONCLUSION: The mechanism underlying the treatment of periodontitis with the recipe formula may be closely related to multiple targets in the MAPK signaling pathway.
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spelling pubmed-106277022023-11-07 The mechanism of the Shuang Bai Su Qing recipe in treating periodontitis based on network pharmacology and molecular docking technology Zhang, Haomin Ning, Ruirui Zhao, Yongqin Yan, Zhao Chen, Yongzhi Medicine (Baltimore) 5900 AIM: To explore the material basis of action of the Shuang Bai Su Qing recipe in the treatment of periodontitis using network pharmacology. METHODS: Using TCMSP, we screened the chemical components of 5 drugs. The components were input into the UniProt and PubChem databases to obtain target proteins; Genecards, Online Mendelian Inheritance in Man (OMIM), and CEO databases were used to screen target proteins for periodontal disease. The targets were imported into the Cytoscape software to obtain intersecting targets, and conduct visual analysis to build the PPI network. The intersecting targets were then input into the Matescape database and subjected to biological process (BP) analysis, molecular function (MF) analysis, cell component (CC) analysis, and KEGG enrichment analysis. RESULTS: Twenty-seven TCM chemical components were obtained, with 198 target proteins associated with drugs and 2587 target proteins for periodontitis. Ten core targets were identified. Gene Ontology (GO) functional enrichment analysis yielded results for 20 BP, 11 MF, and 10 CC. KEGG analysis revealed that the main mechanisms of action were related to MAPK signaling pathway. Molecular docking results showed that luteolin strongly bind to TNF, IL6, and IL1B target proteins. CONCLUSION: The mechanism underlying the treatment of periodontitis with the recipe formula may be closely related to multiple targets in the MAPK signaling pathway. Lippincott Williams & Wilkins 2023-11-03 /pmc/articles/PMC10627702/ /pubmed/37933027 http://dx.doi.org/10.1097/MD.0000000000035139 Text en Copyright © 2023 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 5900
Zhang, Haomin
Ning, Ruirui
Zhao, Yongqin
Yan, Zhao
Chen, Yongzhi
The mechanism of the Shuang Bai Su Qing recipe in treating periodontitis based on network pharmacology and molecular docking technology
title The mechanism of the Shuang Bai Su Qing recipe in treating periodontitis based on network pharmacology and molecular docking technology
title_full The mechanism of the Shuang Bai Su Qing recipe in treating periodontitis based on network pharmacology and molecular docking technology
title_fullStr The mechanism of the Shuang Bai Su Qing recipe in treating periodontitis based on network pharmacology and molecular docking technology
title_full_unstemmed The mechanism of the Shuang Bai Su Qing recipe in treating periodontitis based on network pharmacology and molecular docking technology
title_short The mechanism of the Shuang Bai Su Qing recipe in treating periodontitis based on network pharmacology and molecular docking technology
title_sort mechanism of the shuang bai su qing recipe in treating periodontitis based on network pharmacology and molecular docking technology
topic 5900
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10627702/
https://www.ncbi.nlm.nih.gov/pubmed/37933027
http://dx.doi.org/10.1097/MD.0000000000035139
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