Exploring the mechanism of Buyang Huanwu decoction in the treatment of lumbar disc herniation based on network pharmacology and molecular docking

Buyang Huanwu decoction (BYHWD), as one of the traditional Chinese medicine formulas, is widely used in the clinical treatment of lumbar disc herniation (LDH) with curative effect. It has the characteristics of multi-component, multi-target, and mutual synergy, but the mechanism of action is often u...

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
Veröffentlicht in:Medicine (Baltimore) 2022-08, Vol.101 (32), p.e29534-e29534
Hauptverfasser: Gu, Yong, Zhu, Haijia, Wang, Xiaojian, Zhang, Shanxing, Tong, Peijian, Lv, Shuaijie
Format: Artikel
Sprache:eng
Schlagworte:
Online-Zugang:Volltext
Tags: Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
container_end_page e29534
container_issue 32
container_start_page e29534
container_title Medicine (Baltimore)
container_volume 101
creator Gu, Yong
Zhu, Haijia
Wang, Xiaojian
Zhang, Shanxing
Tong, Peijian
Lv, Shuaijie
description Buyang Huanwu decoction (BYHWD), as one of the traditional Chinese medicine formulas, is widely used in the clinical treatment of lumbar disc herniation (LDH) with curative effect. It has the characteristics of multi-component, multi-target, and mutual synergy, but the mechanism of action is often unclear. It needs some research to explore the molecular mechanism of BYHWD in the treatment of LDH based on network pharmacology and molecular docking. Screen the active compounds of BYHWD and predict drug-related gene/protein targets, which could determine the specific target of BYHWD in the treatment of LDH. Construct the “Drugs-Compounds-Targets” network and search for the core targets. Use Gene Ontology functional enrichment analysis, Kyoto Encyclopedia of Genes and Genomes pathway enrichment analysis, and molecular docking verification to explore the possible molecular mechanism. Eighty-two effective compounds and 666 targets of BYHWD, 187 targets for LDH treatment, and 20 core candidate targets were excavated. A total of 3414 entries were identified by Gene Ontology enrichment analysis, 173 related signal pathways were identified by Kyoto Encyclopedia of Genes and Genomes enrichment analysis, and 5 core compounds were identified by molecular docking, which had a good affinity with core genes STAT3, JUN, AKT1, MAPK1, RELA, and PIK3CA. BYHWD may play the role of analgesic and improving function by synergistic anti-inflammatory and analgesic compounds, regulating cell metabolic differentiation, regulating immunity, and anticoagulation. BYHWD in the treatment of LDH may play a role in analgesia and improve function through multiple signaling pathways, including PI3K-Akt, mitogen-activated protein kinase, tumor necrosis factor, and interleukin-17. The PI3K-Akt signaling may be one of the key mechanisms.
doi_str_mv 10.1097/MD.0000000000029534
format Article
fullrecord <record><control><sourceid>proquest_pubme</sourceid><recordid>TN_cdi_pubmedcentral_primary_oai_pubmedcentral_nih_gov_9371581</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>2702182205</sourcerecordid><originalsourceid>FETCH-LOGICAL-c4501-5f51864c61eed9340b38239de3e0c0e306af124e82f9e6ebed581158be31f7a63</originalsourceid><addsrcrecordid>eNpdkc1u1DAUhS0EoqXwBEjISzYp_omTeIMEbaFIrdjA2nKcm4kZxx7smGEegzfGM1NKwRtfXX_3-FwdhF5Sck6JbN_cXp6Tv4dJwetH6JQK3lRCNvXjB_UJepbSN0Iob1n9FJ3w0iREyFP06-rnxoVo_QovE-AZzKS9TTMOI36fd7r0r7P224wHMMEsNnhs_YFdIuhlBr_sWZfnXkc82GTwBNFbfUB7nWDApfCwbENc482k46xNcGG1w9oPeA4OTHb72WDWxcdz9GTULsGLu_sMff1w9eXiurr5_PHTxbubytSC0EqMgnZNbRoKMEhek553jMsBOBBDgJNGj5TV0LFRQgM9DKKjVHQ9cDq2uuFn6O1Rd5P7GQZTFonaqU20s447FbRV_754O6lV-KEkb4sOLQKv7wRi-J4hLWou24Nz2kPISbGWMNoxRkRB-RE1MaQUYbz_hhK1D1PdXqr_wyxTrx46vJ_5k14B6iOwDW6BmNYubyGqCbRbpoOeaCWrGCkmOspItZem_DdjW63B</addsrcrecordid><sourcetype>Open Access Repository</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype><pqid>2702182205</pqid></control><display><type>article</type><title>Exploring the mechanism of Buyang Huanwu decoction in the treatment of lumbar disc herniation based on network pharmacology and molecular docking</title><source>Wolters Kluwer Open Health</source><source>PubMed Central Free</source><source>MEDLINE</source><source>DOAJ Directory of Open Access Journals</source><source>IngentaConnect Free/Open Access Journals</source><source>EZB-FREE-00999 freely available EZB journals</source><source>Alma/SFX Local Collection</source><creator>Gu, Yong ; Zhu, Haijia ; Wang, Xiaojian ; Zhang, Shanxing ; Tong, Peijian ; Lv, Shuaijie</creator><creatorcontrib>Gu, Yong ; Zhu, Haijia ; Wang, Xiaojian ; Zhang, Shanxing ; Tong, Peijian ; Lv, Shuaijie</creatorcontrib><description>Buyang Huanwu decoction (BYHWD), as one of the traditional Chinese medicine formulas, is widely used in the clinical treatment of lumbar disc herniation (LDH) with curative effect. It has the characteristics of multi-component, multi-target, and mutual synergy, but the mechanism of action is often unclear. It needs some research to explore the molecular mechanism of BYHWD in the treatment of LDH based on network pharmacology and molecular docking. Screen the active compounds of BYHWD and predict drug-related gene/protein targets, which could determine the specific target of BYHWD in the treatment of LDH. Construct the “Drugs-Compounds-Targets” network and search for the core targets. Use Gene Ontology functional enrichment analysis, Kyoto Encyclopedia of Genes and Genomes pathway enrichment analysis, and molecular docking verification to explore the possible molecular mechanism. Eighty-two effective compounds and 666 targets of BYHWD, 187 targets for LDH treatment, and 20 core candidate targets were excavated. A total of 3414 entries were identified by Gene Ontology enrichment analysis, 173 related signal pathways were identified by Kyoto Encyclopedia of Genes and Genomes enrichment analysis, and 5 core compounds were identified by molecular docking, which had a good affinity with core genes STAT3, JUN, AKT1, MAPK1, RELA, and PIK3CA. BYHWD may play the role of analgesic and improving function by synergistic anti-inflammatory and analgesic compounds, regulating cell metabolic differentiation, regulating immunity, and anticoagulation. BYHWD in the treatment of LDH may play a role in analgesia and improve function through multiple signaling pathways, including PI3K-Akt, mitogen-activated protein kinase, tumor necrosis factor, and interleukin-17. The PI3K-Akt signaling may be one of the key mechanisms.</description><identifier>ISSN: 1536-5964</identifier><identifier>ISSN: 0025-7974</identifier><identifier>EISSN: 1536-5964</identifier><identifier>DOI: 10.1097/MD.0000000000029534</identifier><identifier>PMID: 35960059</identifier><language>eng</language><publisher>United States: Lippincott Williams &amp; Wilkins</publisher><subject>Drugs, Chinese Herbal - pharmacology ; Drugs, Chinese Herbal - therapeutic use ; Humans ; Intervertebral Disc Displacement - drug therapy ; Medicine, Chinese Traditional ; Molecular Docking Simulation ; Network Pharmacology ; Observational Study ; Phosphatidylinositol 3-Kinases ; Proto-Oncogene Proteins c-akt</subject><ispartof>Medicine (Baltimore), 2022-08, Vol.101 (32), p.e29534-e29534</ispartof><rights>Lippincott Williams &amp; Wilkins</rights><rights>Copyright © 2022 the Author(s). Published by Wolters Kluwer Health, Inc.</rights><rights>Copyright © 2022 the Author(s). Published by Wolters Kluwer Health, Inc. 2022</rights><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c4501-5f51864c61eed9340b38239de3e0c0e306af124e82f9e6ebed581158be31f7a63</citedby><cites>FETCH-LOGICAL-c4501-5f51864c61eed9340b38239de3e0c0e306af124e82f9e6ebed581158be31f7a63</cites><orcidid>0000-0003-1755-6665</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC9371581/pdf/$$EPDF$$P50$$Gpubmedcentral$$Hfree_for_read</linktopdf><linktohtml>$$Uhttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC9371581/$$EHTML$$P50$$Gpubmedcentral$$Hfree_for_read</linktohtml><link.rule.ids>230,314,727,780,784,864,885,27924,27925,53791,53793</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/35960059$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Gu, Yong</creatorcontrib><creatorcontrib>Zhu, Haijia</creatorcontrib><creatorcontrib>Wang, Xiaojian</creatorcontrib><creatorcontrib>Zhang, Shanxing</creatorcontrib><creatorcontrib>Tong, Peijian</creatorcontrib><creatorcontrib>Lv, Shuaijie</creatorcontrib><title>Exploring the mechanism of Buyang Huanwu decoction in the treatment of lumbar disc herniation based on network pharmacology and molecular docking</title><title>Medicine (Baltimore)</title><addtitle>Medicine (Baltimore)</addtitle><description>Buyang Huanwu decoction (BYHWD), as one of the traditional Chinese medicine formulas, is widely used in the clinical treatment of lumbar disc herniation (LDH) with curative effect. It has the characteristics of multi-component, multi-target, and mutual synergy, but the mechanism of action is often unclear. It needs some research to explore the molecular mechanism of BYHWD in the treatment of LDH based on network pharmacology and molecular docking. Screen the active compounds of BYHWD and predict drug-related gene/protein targets, which could determine the specific target of BYHWD in the treatment of LDH. Construct the “Drugs-Compounds-Targets” network and search for the core targets. Use Gene Ontology functional enrichment analysis, Kyoto Encyclopedia of Genes and Genomes pathway enrichment analysis, and molecular docking verification to explore the possible molecular mechanism. Eighty-two effective compounds and 666 targets of BYHWD, 187 targets for LDH treatment, and 20 core candidate targets were excavated. A total of 3414 entries were identified by Gene Ontology enrichment analysis, 173 related signal pathways were identified by Kyoto Encyclopedia of Genes and Genomes enrichment analysis, and 5 core compounds were identified by molecular docking, which had a good affinity with core genes STAT3, JUN, AKT1, MAPK1, RELA, and PIK3CA. BYHWD may play the role of analgesic and improving function by synergistic anti-inflammatory and analgesic compounds, regulating cell metabolic differentiation, regulating immunity, and anticoagulation. BYHWD in the treatment of LDH may play a role in analgesia and improve function through multiple signaling pathways, including PI3K-Akt, mitogen-activated protein kinase, tumor necrosis factor, and interleukin-17. The PI3K-Akt signaling may be one of the key mechanisms.</description><subject>Drugs, Chinese Herbal - pharmacology</subject><subject>Drugs, Chinese Herbal - therapeutic use</subject><subject>Humans</subject><subject>Intervertebral Disc Displacement - drug therapy</subject><subject>Medicine, Chinese Traditional</subject><subject>Molecular Docking Simulation</subject><subject>Network Pharmacology</subject><subject>Observational Study</subject><subject>Phosphatidylinositol 3-Kinases</subject><subject>Proto-Oncogene Proteins c-akt</subject><issn>1536-5964</issn><issn>0025-7974</issn><issn>1536-5964</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2022</creationdate><recordtype>article</recordtype><sourceid>EIF</sourceid><recordid>eNpdkc1u1DAUhS0EoqXwBEjISzYp_omTeIMEbaFIrdjA2nKcm4kZxx7smGEegzfGM1NKwRtfXX_3-FwdhF5Sck6JbN_cXp6Tv4dJwetH6JQK3lRCNvXjB_UJepbSN0Iob1n9FJ3w0iREyFP06-rnxoVo_QovE-AZzKS9TTMOI36fd7r0r7P224wHMMEsNnhs_YFdIuhlBr_sWZfnXkc82GTwBNFbfUB7nWDApfCwbENc482k46xNcGG1w9oPeA4OTHb72WDWxcdz9GTULsGLu_sMff1w9eXiurr5_PHTxbubytSC0EqMgnZNbRoKMEhek553jMsBOBBDgJNGj5TV0LFRQgM9DKKjVHQ9cDq2uuFn6O1Rd5P7GQZTFonaqU20s447FbRV_754O6lV-KEkb4sOLQKv7wRi-J4hLWou24Nz2kPISbGWMNoxRkRB-RE1MaQUYbz_hhK1D1PdXqr_wyxTrx46vJ_5k14B6iOwDW6BmNYubyGqCbRbpoOeaCWrGCkmOspItZem_DdjW63B</recordid><startdate>20220812</startdate><enddate>20220812</enddate><creator>Gu, Yong</creator><creator>Zhu, Haijia</creator><creator>Wang, Xiaojian</creator><creator>Zhang, Shanxing</creator><creator>Tong, Peijian</creator><creator>Lv, Shuaijie</creator><general>Lippincott Williams &amp; Wilkins</general><scope>CGR</scope><scope>CUY</scope><scope>CVF</scope><scope>ECM</scope><scope>EIF</scope><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7X8</scope><scope>5PM</scope><orcidid>https://orcid.org/0000-0003-1755-6665</orcidid></search><sort><creationdate>20220812</creationdate><title>Exploring the mechanism of Buyang Huanwu decoction in the treatment of lumbar disc herniation based on network pharmacology and molecular docking</title><author>Gu, Yong ; Zhu, Haijia ; Wang, Xiaojian ; Zhang, Shanxing ; Tong, Peijian ; Lv, Shuaijie</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c4501-5f51864c61eed9340b38239de3e0c0e306af124e82f9e6ebed581158be31f7a63</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2022</creationdate><topic>Drugs, Chinese Herbal - pharmacology</topic><topic>Drugs, Chinese Herbal - therapeutic use</topic><topic>Humans</topic><topic>Intervertebral Disc Displacement - drug therapy</topic><topic>Medicine, Chinese Traditional</topic><topic>Molecular Docking Simulation</topic><topic>Network Pharmacology</topic><topic>Observational Study</topic><topic>Phosphatidylinositol 3-Kinases</topic><topic>Proto-Oncogene Proteins c-akt</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Gu, Yong</creatorcontrib><creatorcontrib>Zhu, Haijia</creatorcontrib><creatorcontrib>Wang, Xiaojian</creatorcontrib><creatorcontrib>Zhang, Shanxing</creatorcontrib><creatorcontrib>Tong, Peijian</creatorcontrib><creatorcontrib>Lv, Shuaijie</creatorcontrib><collection>Medline</collection><collection>MEDLINE</collection><collection>MEDLINE (Ovid)</collection><collection>MEDLINE</collection><collection>MEDLINE</collection><collection>PubMed</collection><collection>CrossRef</collection><collection>MEDLINE - Academic</collection><collection>PubMed Central (Full Participant titles)</collection><jtitle>Medicine (Baltimore)</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Gu, Yong</au><au>Zhu, Haijia</au><au>Wang, Xiaojian</au><au>Zhang, Shanxing</au><au>Tong, Peijian</au><au>Lv, Shuaijie</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Exploring the mechanism of Buyang Huanwu decoction in the treatment of lumbar disc herniation based on network pharmacology and molecular docking</atitle><jtitle>Medicine (Baltimore)</jtitle><addtitle>Medicine (Baltimore)</addtitle><date>2022-08-12</date><risdate>2022</risdate><volume>101</volume><issue>32</issue><spage>e29534</spage><epage>e29534</epage><pages>e29534-e29534</pages><issn>1536-5964</issn><issn>0025-7974</issn><eissn>1536-5964</eissn><abstract>Buyang Huanwu decoction (BYHWD), as one of the traditional Chinese medicine formulas, is widely used in the clinical treatment of lumbar disc herniation (LDH) with curative effect. It has the characteristics of multi-component, multi-target, and mutual synergy, but the mechanism of action is often unclear. It needs some research to explore the molecular mechanism of BYHWD in the treatment of LDH based on network pharmacology and molecular docking. Screen the active compounds of BYHWD and predict drug-related gene/protein targets, which could determine the specific target of BYHWD in the treatment of LDH. Construct the “Drugs-Compounds-Targets” network and search for the core targets. Use Gene Ontology functional enrichment analysis, Kyoto Encyclopedia of Genes and Genomes pathway enrichment analysis, and molecular docking verification to explore the possible molecular mechanism. Eighty-two effective compounds and 666 targets of BYHWD, 187 targets for LDH treatment, and 20 core candidate targets were excavated. A total of 3414 entries were identified by Gene Ontology enrichment analysis, 173 related signal pathways were identified by Kyoto Encyclopedia of Genes and Genomes enrichment analysis, and 5 core compounds were identified by molecular docking, which had a good affinity with core genes STAT3, JUN, AKT1, MAPK1, RELA, and PIK3CA. BYHWD may play the role of analgesic and improving function by synergistic anti-inflammatory and analgesic compounds, regulating cell metabolic differentiation, regulating immunity, and anticoagulation. BYHWD in the treatment of LDH may play a role in analgesia and improve function through multiple signaling pathways, including PI3K-Akt, mitogen-activated protein kinase, tumor necrosis factor, and interleukin-17. The PI3K-Akt signaling may be one of the key mechanisms.</abstract><cop>United States</cop><pub>Lippincott Williams &amp; Wilkins</pub><pmid>35960059</pmid><doi>10.1097/MD.0000000000029534</doi><orcidid>https://orcid.org/0000-0003-1755-6665</orcidid><oa>free_for_read</oa></addata></record>
fulltext fulltext
identifier ISSN: 1536-5964
ispartof Medicine (Baltimore), 2022-08, Vol.101 (32), p.e29534-e29534
issn 1536-5964
0025-7974
1536-5964
language eng
recordid cdi_pubmedcentral_primary_oai_pubmedcentral_nih_gov_9371581
source Wolters Kluwer Open Health; PubMed Central Free; MEDLINE; DOAJ Directory of Open Access Journals; IngentaConnect Free/Open Access Journals; EZB-FREE-00999 freely available EZB journals; Alma/SFX Local Collection
subjects Drugs, Chinese Herbal - pharmacology
Drugs, Chinese Herbal - therapeutic use
Humans
Intervertebral Disc Displacement - drug therapy
Medicine, Chinese Traditional
Molecular Docking Simulation
Network Pharmacology
Observational Study
Phosphatidylinositol 3-Kinases
Proto-Oncogene Proteins c-akt
title Exploring the mechanism of Buyang Huanwu decoction in the treatment of lumbar disc herniation based on network pharmacology and molecular docking
url https://sfx.bib-bvb.de/sfx_tum?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2024-12-25T12%3A46%3A34IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-proquest_pubme&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=Exploring%20the%20mechanism%20of%20Buyang%20Huanwu%20decoction%20in%20the%20treatment%20of%20lumbar%20disc%20herniation%20based%20on%20network%20pharmacology%20and%20molecular%20docking&rft.jtitle=Medicine%20(Baltimore)&rft.au=Gu,%20Yong&rft.date=2022-08-12&rft.volume=101&rft.issue=32&rft.spage=e29534&rft.epage=e29534&rft.pages=e29534-e29534&rft.issn=1536-5964&rft.eissn=1536-5964&rft_id=info:doi/10.1097/MD.0000000000029534&rft_dat=%3Cproquest_pubme%3E2702182205%3C/proquest_pubme%3E%3Curl%3E%3C/url%3E&disable_directlink=true&sfx.directlink=off&sfx.report_link=0&rft_id=info:oai/&rft_pqid=2702182205&rft_id=info:pmid/35960059&rfr_iscdi=true