Network Pharmacology-Based Systematic Analysis of Molecular Mechanisms of Geranium wilfordii Maxim for HSV-2 Infection
Background. Being a traditional Chinese medicine, Geranium wilfordii Maxim (GWM) is used for the treatment of various infectious diseases, and its main active ingredients are the polyphenolic substances such as polyphenols quercetin, corilagin, and geraniin. Previous studies have demonstrated the an...
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| description | Background. Being a traditional Chinese medicine, Geranium wilfordii Maxim (GWM) is used for the treatment of various infectious diseases, and its main active ingredients are the polyphenolic substances such as polyphenols quercetin, corilagin, and geraniin. Previous studies have demonstrated the anti-HSV-1 viral activity of these three main ingredients. Through employing a network pharmacological method, the authors of the present research intend to probe the mechanism of GWM for the therapeutic treatment of HSV-2 infection. Methods. The bioactive substances and related targets of GWM were obtained from the TCMSP database. Gene expression discrepancy for HSV-2 infection was obtained from dataset GSE18527. Crossover genes between disease target genes and GWM target genes were gained via Circos package. Distinctively displayed genes (DDGs) during HSV-2 infection were uploaded to the Metascape database with GWM target genes for further analysis. The tissue-specific distribution of the genes was obtained by uploading the genes to the PaGenBase database. Ingredient-gene-pathway (IGP) networks were constructed using Cytoscape software. Molecular docking investigations were carried out utilizing AutoDock Vina software. Results. Nine actively involved components were retrieved from the TCMSP database. After taking the intersection among 153 drug target genes and 83 DDGs, 7 crossover genes were screened. Gene enrichment analysis showed that GWM treatment of HSV-2 infection mainly involves cytokine signaling in the immune system, response to virus, epithelial cell differentiation, and type II interferon signaling (IFNG). One hub, three core objectives, and two critical paths were filtered out from the built network. Geraniin showed strong binding activity with HSV-2 gD protein and STING protein in molecular docking. Conclusions. This network pharmacological study provides a fundamental molecular mechanistic exploration of GWM for the treatment of HSV-2 infection. |
| doi_str_mv | 10.1155/2021/1009551 |
| format | Article |
| fullrecord | <record><control><sourceid>proquest_pubme</sourceid><recordid>TN_cdi_pubmedcentral_primary_oai_pubmedcentral_nih_gov_8580655</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>2597803980</sourcerecordid><originalsourceid>FETCH-LOGICAL-c448t-f923ca70cf7def4094d1c922fd15334517b7f3e6282a7d76e7ea3c34475bc1623</originalsourceid><addsrcrecordid>eNp9kd9rFDEQx4Motr365rMEfBHs2vy87L4UaqltoVeFqvgWctlJLzW7qcluz_vvm3rnoT7IEGYm8-HLJF-EXlLyjlIpDxlh9JAS0khJn6BdqgStBKvrp9tafdtBeznfEsIapdRztMNFyZKTXXR_BcMypu_408KkztgY4s2qem8ytPh6lQfozOAtPu5NWGWfcXR4FgPYMZiEZ2AXpve5-3V_Bqk0Y4eXPriYWu_xzPz0HS4NPr_-WjF80Tuwg4_9PnrmTMjwYpMn6MuH088n59Xlx7OLk-PLygpRD5VrGLdGEetUC06QRrTUNoy5lkrOhaRqrhyHKauZUa2aggLDLRdCybmlU8Yn6GitezfOO2gt9EMyQd8l35m00tF4_fek9wt9E-91LWsylbIIvNkIpPhjhDzozmcLIZge4pg1k42qCW_KmaDX_6C3cUzl49YUFyV4oQ7WlE0x5wRuuwwl-tFQ_Wio3hha8Fd_PmAL_3awAG_XwML3rVn6_8s9AEHKqSY</addsrcrecordid><sourcetype>Open Access Repository</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype><pqid>2597343433</pqid></control><display><type>article</type><title>Network Pharmacology-Based Systematic Analysis of Molecular Mechanisms of Geranium wilfordii Maxim for HSV-2 Infection</title><source>PubMed Central Open Access</source><source>EZB-FREE-00999 freely available EZB journals</source><source>Wiley Online Library (Open Access Collection)</source><source>PubMed Central</source><source>Alma/SFX Local Collection</source><creator>Zhang, Hao ; Gao, Ming-Huang ; Chen, Yang ; Liu, Tao</creator><contributor>Ojo, Oluwafemi Adeleke ; Oluwafemi Adeleke Ojo</contributor><creatorcontrib>Zhang, Hao ; Gao, Ming-Huang ; Chen, Yang ; Liu, Tao ; Ojo, Oluwafemi Adeleke ; Oluwafemi Adeleke Ojo</creatorcontrib><description>Background. Being a traditional Chinese medicine, Geranium wilfordii Maxim (GWM) is used for the treatment of various infectious diseases, and its main active ingredients are the polyphenolic substances such as polyphenols quercetin, corilagin, and geraniin. Previous studies have demonstrated the anti-HSV-1 viral activity of these three main ingredients. Through employing a network pharmacological method, the authors of the present research intend to probe the mechanism of GWM for the therapeutic treatment of HSV-2 infection. Methods. The bioactive substances and related targets of GWM were obtained from the TCMSP database. Gene expression discrepancy for HSV-2 infection was obtained from dataset GSE18527. Crossover genes between disease target genes and GWM target genes were gained via Circos package. Distinctively displayed genes (DDGs) during HSV-2 infection were uploaded to the Metascape database with GWM target genes for further analysis. The tissue-specific distribution of the genes was obtained by uploading the genes to the PaGenBase database. Ingredient-gene-pathway (IGP) networks were constructed using Cytoscape software. Molecular docking investigations were carried out utilizing AutoDock Vina software. Results. Nine actively involved components were retrieved from the TCMSP database. After taking the intersection among 153 drug target genes and 83 DDGs, 7 crossover genes were screened. Gene enrichment analysis showed that GWM treatment of HSV-2 infection mainly involves cytokine signaling in the immune system, response to virus, epithelial cell differentiation, and type II interferon signaling (IFNG). One hub, three core objectives, and two critical paths were filtered out from the built network. Geraniin showed strong binding activity with HSV-2 gD protein and STING protein in molecular docking. Conclusions. This network pharmacological study provides a fundamental molecular mechanistic exploration of GWM for the treatment of HSV-2 infection.</description><identifier>ISSN: 1741-427X</identifier><identifier>EISSN: 1741-4288</identifier><identifier>DOI: 10.1155/2021/1009551</identifier><identifier>PMID: 34777530</identifier><language>eng</language><publisher>United States: Hindawi</publisher><subject>Cell differentiation ; Chinese medicine ; Computer programs ; Cytokines ; Datasets ; Epithelial cells ; Gene expression ; Genes ; Geranium ; Herpes viruses ; Immune system ; Infections ; Infectious diseases ; Ingredients ; Interferon ; Metabolism ; Molecular modelling ; Pharmacology ; Polyphenols ; Proteins ; Quercetin ; Smooth muscle ; Therapeutic targets ; Traditional Chinese medicine ; Transcription factors ; Web sites</subject><ispartof>Evidence-based complementary and alternative medicine, 2021, Vol.2021, p.1009551-9</ispartof><rights>Copyright © 2021 Hao Zhang et al.</rights><rights>Copyright © 2021 Hao Zhang et al. This is an open access article distributed under the Creative Commons Attribution License (the “License”), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License. https://creativecommons.org/licenses/by/4.0</rights><rights>Copyright © 2021 Hao Zhang et al. 2021</rights><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c448t-f923ca70cf7def4094d1c922fd15334517b7f3e6282a7d76e7ea3c34475bc1623</citedby><cites>FETCH-LOGICAL-c448t-f923ca70cf7def4094d1c922fd15334517b7f3e6282a7d76e7ea3c34475bc1623</cites><orcidid>0000-0002-1334-8378 ; 0000-0002-7654-2995 ; 0000-0003-2329-5107 ; 0000-0001-9793-0244</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/PMC8580655/pdf/$$EPDF$$P50$$Gpubmedcentral$$Hfree_for_read</linktopdf><linktohtml>$$Uhttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC8580655/$$EHTML$$P50$$Gpubmedcentral$$Hfree_for_read</linktohtml><link.rule.ids>230,314,727,780,784,885,4024,27923,27924,27925,53791,53793</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/34777530$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><contributor>Ojo, Oluwafemi Adeleke</contributor><contributor>Oluwafemi Adeleke Ojo</contributor><creatorcontrib>Zhang, Hao</creatorcontrib><creatorcontrib>Gao, Ming-Huang</creatorcontrib><creatorcontrib>Chen, Yang</creatorcontrib><creatorcontrib>Liu, Tao</creatorcontrib><title>Network Pharmacology-Based Systematic Analysis of Molecular Mechanisms of Geranium wilfordii Maxim for HSV-2 Infection</title><title>Evidence-based complementary and alternative medicine</title><addtitle>Evid Based Complement Alternat Med</addtitle><description>Background. Being a traditional Chinese medicine, Geranium wilfordii Maxim (GWM) is used for the treatment of various infectious diseases, and its main active ingredients are the polyphenolic substances such as polyphenols quercetin, corilagin, and geraniin. Previous studies have demonstrated the anti-HSV-1 viral activity of these three main ingredients. Through employing a network pharmacological method, the authors of the present research intend to probe the mechanism of GWM for the therapeutic treatment of HSV-2 infection. Methods. The bioactive substances and related targets of GWM were obtained from the TCMSP database. Gene expression discrepancy for HSV-2 infection was obtained from dataset GSE18527. Crossover genes between disease target genes and GWM target genes were gained via Circos package. Distinctively displayed genes (DDGs) during HSV-2 infection were uploaded to the Metascape database with GWM target genes for further analysis. The tissue-specific distribution of the genes was obtained by uploading the genes to the PaGenBase database. Ingredient-gene-pathway (IGP) networks were constructed using Cytoscape software. Molecular docking investigations were carried out utilizing AutoDock Vina software. Results. Nine actively involved components were retrieved from the TCMSP database. After taking the intersection among 153 drug target genes and 83 DDGs, 7 crossover genes were screened. Gene enrichment analysis showed that GWM treatment of HSV-2 infection mainly involves cytokine signaling in the immune system, response to virus, epithelial cell differentiation, and type II interferon signaling (IFNG). One hub, three core objectives, and two critical paths were filtered out from the built network. Geraniin showed strong binding activity with HSV-2 gD protein and STING protein in molecular docking. Conclusions. This network pharmacological study provides a fundamental molecular mechanistic exploration of GWM for the treatment of HSV-2 infection.</description><subject>Cell differentiation</subject><subject>Chinese medicine</subject><subject>Computer programs</subject><subject>Cytokines</subject><subject>Datasets</subject><subject>Epithelial cells</subject><subject>Gene expression</subject><subject>Genes</subject><subject>Geranium</subject><subject>Herpes viruses</subject><subject>Immune system</subject><subject>Infections</subject><subject>Infectious diseases</subject><subject>Ingredients</subject><subject>Interferon</subject><subject>Metabolism</subject><subject>Molecular modelling</subject><subject>Pharmacology</subject><subject>Polyphenols</subject><subject>Proteins</subject><subject>Quercetin</subject><subject>Smooth muscle</subject><subject>Therapeutic targets</subject><subject>Traditional Chinese medicine</subject><subject>Transcription factors</subject><subject>Web sites</subject><issn>1741-427X</issn><issn>1741-4288</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2021</creationdate><recordtype>article</recordtype><sourceid>RHX</sourceid><sourceid>8G5</sourceid><sourceid>ABUWG</sourceid><sourceid>AFKRA</sourceid><sourceid>AZQEC</sourceid><sourceid>BENPR</sourceid><sourceid>CCPQU</sourceid><sourceid>DWQXO</sourceid><sourceid>GNUQQ</sourceid><sourceid>GUQSH</sourceid><sourceid>M2O</sourceid><recordid>eNp9kd9rFDEQx4Motr365rMEfBHs2vy87L4UaqltoVeFqvgWctlJLzW7qcluz_vvm3rnoT7IEGYm8-HLJF-EXlLyjlIpDxlh9JAS0khJn6BdqgStBKvrp9tafdtBeznfEsIapdRztMNFyZKTXXR_BcMypu_408KkztgY4s2qem8ytPh6lQfozOAtPu5NWGWfcXR4FgPYMZiEZ2AXpve5-3V_Bqk0Y4eXPriYWu_xzPz0HS4NPr_-WjF80Tuwg4_9PnrmTMjwYpMn6MuH088n59Xlx7OLk-PLygpRD5VrGLdGEetUC06QRrTUNoy5lkrOhaRqrhyHKauZUa2aggLDLRdCybmlU8Yn6GitezfOO2gt9EMyQd8l35m00tF4_fek9wt9E-91LWsylbIIvNkIpPhjhDzozmcLIZge4pg1k42qCW_KmaDX_6C3cUzl49YUFyV4oQ7WlE0x5wRuuwwl-tFQ_Wio3hha8Fd_PmAL_3awAG_XwML3rVn6_8s9AEHKqSY</recordid><startdate>2021</startdate><enddate>2021</enddate><creator>Zhang, Hao</creator><creator>Gao, Ming-Huang</creator><creator>Chen, Yang</creator><creator>Liu, Tao</creator><general>Hindawi</general><general>Hindawi Limited</general><scope>RHU</scope><scope>RHW</scope><scope>RHX</scope><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>3V.</scope><scope>7RV</scope><scope>7T5</scope><scope>7TO</scope><scope>7X7</scope><scope>7XB</scope><scope>88G</scope><scope>8AO</scope><scope>8FI</scope><scope>8FJ</scope><scope>8FK</scope><scope>8G5</scope><scope>ABUWG</scope><scope>AFKRA</scope><scope>AZQEC</scope><scope>BENPR</scope><scope>CCPQU</scope><scope>DWQXO</scope><scope>FYUFA</scope><scope>GHDGH</scope><scope>GNUQQ</scope><scope>GUQSH</scope><scope>H94</scope><scope>K9.</scope><scope>KB0</scope><scope>M0S</scope><scope>M2M</scope><scope>M2O</scope><scope>MBDVC</scope><scope>NAPCQ</scope><scope>PIMPY</scope><scope>PQEST</scope><scope>PQQKQ</scope><scope>PQUKI</scope><scope>PRINS</scope><scope>PSYQQ</scope><scope>Q9U</scope><scope>7X8</scope><scope>5PM</scope><orcidid>https://orcid.org/0000-0002-1334-8378</orcidid><orcidid>https://orcid.org/0000-0002-7654-2995</orcidid><orcidid>https://orcid.org/0000-0003-2329-5107</orcidid><orcidid>https://orcid.org/0000-0001-9793-0244</orcidid></search><sort><creationdate>2021</creationdate><title>Network Pharmacology-Based Systematic Analysis of Molecular Mechanisms of Geranium wilfordii Maxim for HSV-2 Infection</title><author>Zhang, Hao ; 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Being a traditional Chinese medicine, Geranium wilfordii Maxim (GWM) is used for the treatment of various infectious diseases, and its main active ingredients are the polyphenolic substances such as polyphenols quercetin, corilagin, and geraniin. Previous studies have demonstrated the anti-HSV-1 viral activity of these three main ingredients. Through employing a network pharmacological method, the authors of the present research intend to probe the mechanism of GWM for the therapeutic treatment of HSV-2 infection. Methods. The bioactive substances and related targets of GWM were obtained from the TCMSP database. Gene expression discrepancy for HSV-2 infection was obtained from dataset GSE18527. Crossover genes between disease target genes and GWM target genes were gained via Circos package. Distinctively displayed genes (DDGs) during HSV-2 infection were uploaded to the Metascape database with GWM target genes for further analysis. The tissue-specific distribution of the genes was obtained by uploading the genes to the PaGenBase database. Ingredient-gene-pathway (IGP) networks were constructed using Cytoscape software. Molecular docking investigations were carried out utilizing AutoDock Vina software. Results. Nine actively involved components were retrieved from the TCMSP database. After taking the intersection among 153 drug target genes and 83 DDGs, 7 crossover genes were screened. Gene enrichment analysis showed that GWM treatment of HSV-2 infection mainly involves cytokine signaling in the immune system, response to virus, epithelial cell differentiation, and type II interferon signaling (IFNG). One hub, three core objectives, and two critical paths were filtered out from the built network. Geraniin showed strong binding activity with HSV-2 gD protein and STING protein in molecular docking. Conclusions. This network pharmacological study provides a fundamental molecular mechanistic exploration of GWM for the treatment of HSV-2 infection.</abstract><cop>United States</cop><pub>Hindawi</pub><pmid>34777530</pmid><doi>10.1155/2021/1009551</doi><tpages>9</tpages><orcidid>https://orcid.org/0000-0002-1334-8378</orcidid><orcidid>https://orcid.org/0000-0002-7654-2995</orcidid><orcidid>https://orcid.org/0000-0003-2329-5107</orcidid><orcidid>https://orcid.org/0000-0001-9793-0244</orcidid><oa>free_for_read</oa></addata></record> |
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| subjects | Cell differentiation Chinese medicine Computer programs Cytokines Datasets Epithelial cells Gene expression Genes Geranium Herpes viruses Immune system Infections Infectious diseases Ingredients Interferon Metabolism Molecular modelling Pharmacology Polyphenols Proteins Quercetin Smooth muscle Therapeutic targets Traditional Chinese medicine Transcription factors Web sites |
| title | Network Pharmacology-Based Systematic Analysis of Molecular Mechanisms of Geranium wilfordii Maxim for HSV-2 Infection |
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