Bacterial network construction and molecular docking approach to study interaction of Myristica fragrans on Acne infections: Molecular docking approach to study interaction of Myristica fragrans

Bacterial network construction and molecular docking approach to study interaction of Myristica fragrans on Acne infections: Molecular docking approach to study interaction of Myristica fragrans

Acne vulgaris is a very common bacterial infection caused. Herbal remedies have always give a positive response in treatment of various disease in disorders. The present study works on predicting the probable interactions between the Myristica fragrans bioactives with the bacterial targets via netwo...

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
Veröffentlicht in:Community acquired infections 2023-08, Vol.10
Hauptverfasser: Ahire, Eknath D., Balekundri, Amruta
Format: Artikel
Sprache:eng
Online-Zugang:Volltext
Tags: Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
container_end_page
container_issue
container_start_page
container_title Community acquired infections
container_volume 10
creator Ahire, Eknath D.
Balekundri, Amruta
description Acne vulgaris is a very common bacterial infection caused. Herbal remedies have always give a positive response in treatment of various disease in disorders. The present study works on predicting the probable interactions between the Myristica fragrans bioactives with the bacterial targets via network pharmacology and docking techniques. The bio-actives and disease targets were obtained from open databases and literature review. Protein and pathway enrichment analysis was done by utilizing metascape and STRING tool. Cytoscape tool were utilized for construction of network. The compounds were further assessed using molsoft tools and docking was done using auto-dock tools. The potential bio-actives were selected further the network construction gave insights on the highest degree values. The targets with highest interactions were docked and the complex which showed good binding was selected. It was found that Stigmasterol and Campesterol have the highest potential and can be considered as hit compounds for further studies too.    
doi_str_mv 10.54844/cai.2023.0326
format Article
fullrecord <record><control><sourceid>crossref</sourceid><recordid>TN_cdi_crossref_primary_10_54844_cai_2023_0326</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>10_54844_cai_2023_0326</sourcerecordid><originalsourceid>FETCH-crossref_primary_10_54844_cai_2023_03263</originalsourceid><addsrcrecordid>eNqVjz9PwzAQxS0EEhXtynxfoMFxnKodAYFY2Nit08Uupqkd3TlCEV-etDCwMr0nvT_ST6nbWlet3Vp7Rxgro01T6cZsLtTCGNOuN3ZrLv_4a7US-dBa122721m7UF8PSMVzxB6SL5-ZD0A5SeGRSswJMHVwzL2nsUeGLtMhpj3gMHBGeoeSQcrYTRDT_II_mxzgdeIoJRJCYNwzJoE5uKfk52bw554s1VXAXvzqV29U9fz09viyJs4i7IMbOB6RJ1drd6Z0M6U7UboTZfPvwTcogl1S</addsrcrecordid><sourcetype>Aggregation Database</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype></control><display><type>article</type><title>Bacterial network construction and molecular docking approach to study interaction of Myristica fragrans on Acne infections: Molecular docking approach to study interaction of Myristica fragrans</title><source>EZB-FREE-00999 freely available EZB journals</source><creator>Ahire, Eknath D. ; Balekundri, Amruta</creator><creatorcontrib>Ahire, Eknath D. ; Balekundri, Amruta</creatorcontrib><description>Acne vulgaris is a very common bacterial infection caused. Herbal remedies have always give a positive response in treatment of various disease in disorders. The present study works on predicting the probable interactions between the Myristica fragrans bioactives with the bacterial targets via network pharmacology and docking techniques. The bio-actives and disease targets were obtained from open databases and literature review. Protein and pathway enrichment analysis was done by utilizing metascape and STRING tool. Cytoscape tool were utilized for construction of network. The compounds were further assessed using molsoft tools and docking was done using auto-dock tools. The potential bio-actives were selected further the network construction gave insights on the highest degree values. The targets with highest interactions were docked and the complex which showed good binding was selected. It was found that Stigmasterol and Campesterol have the highest potential and can be considered as hit compounds for further studies too.    </description><identifier>ISSN: 2225-6482</identifier><identifier>EISSN: 2225-6482</identifier><identifier>DOI: 10.54844/cai.2023.0326</identifier><language>eng</language><ispartof>Community acquired infections, 2023-08, Vol.10</ispartof><woscitedreferencessubscribed>false</woscitedreferencessubscribed></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,780,784,27924,27925</link.rule.ids></links><search><creatorcontrib>Ahire, Eknath D.</creatorcontrib><creatorcontrib>Balekundri, Amruta</creatorcontrib><title>Bacterial network construction and molecular docking approach to study interaction of Myristica fragrans on Acne infections: Molecular docking approach to study interaction of Myristica fragrans</title><title>Community acquired infections</title><description>Acne vulgaris is a very common bacterial infection caused. Herbal remedies have always give a positive response in treatment of various disease in disorders. The present study works on predicting the probable interactions between the Myristica fragrans bioactives with the bacterial targets via network pharmacology and docking techniques. The bio-actives and disease targets were obtained from open databases and literature review. Protein and pathway enrichment analysis was done by utilizing metascape and STRING tool. Cytoscape tool were utilized for construction of network. The compounds were further assessed using molsoft tools and docking was done using auto-dock tools. The potential bio-actives were selected further the network construction gave insights on the highest degree values. The targets with highest interactions were docked and the complex which showed good binding was selected. It was found that Stigmasterol and Campesterol have the highest potential and can be considered as hit compounds for further studies too.    </description><issn>2225-6482</issn><issn>2225-6482</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2023</creationdate><recordtype>article</recordtype><recordid>eNqVjz9PwzAQxS0EEhXtynxfoMFxnKodAYFY2Nit08Uupqkd3TlCEV-etDCwMr0nvT_ST6nbWlet3Vp7Rxgro01T6cZsLtTCGNOuN3ZrLv_4a7US-dBa122721m7UF8PSMVzxB6SL5-ZD0A5SeGRSswJMHVwzL2nsUeGLtMhpj3gMHBGeoeSQcrYTRDT_II_mxzgdeIoJRJCYNwzJoE5uKfk52bw554s1VXAXvzqV29U9fz09viyJs4i7IMbOB6RJ1drd6Z0M6U7UboTZfPvwTcogl1S</recordid><startdate>20230814</startdate><enddate>20230814</enddate><creator>Ahire, Eknath D.</creator><creator>Balekundri, Amruta</creator><scope>AAYXX</scope><scope>CITATION</scope></search><sort><creationdate>20230814</creationdate><title>Bacterial network construction and molecular docking approach to study interaction of Myristica fragrans on Acne infections</title><author>Ahire, Eknath D. ; Balekundri, Amruta</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-crossref_primary_10_54844_cai_2023_03263</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2023</creationdate><toplevel>online_resources</toplevel><creatorcontrib>Ahire, Eknath D.</creatorcontrib><creatorcontrib>Balekundri, Amruta</creatorcontrib><collection>CrossRef</collection><jtitle>Community acquired infections</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Ahire, Eknath D.</au><au>Balekundri, Amruta</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Bacterial network construction and molecular docking approach to study interaction of Myristica fragrans on Acne infections: Molecular docking approach to study interaction of Myristica fragrans</atitle><jtitle>Community acquired infections</jtitle><date>2023-08-14</date><risdate>2023</risdate><volume>10</volume><issn>2225-6482</issn><eissn>2225-6482</eissn><abstract>Acne vulgaris is a very common bacterial infection caused. Herbal remedies have always give a positive response in treatment of various disease in disorders. The present study works on predicting the probable interactions between the Myristica fragrans bioactives with the bacterial targets via network pharmacology and docking techniques. The bio-actives and disease targets were obtained from open databases and literature review. Protein and pathway enrichment analysis was done by utilizing metascape and STRING tool. Cytoscape tool were utilized for construction of network. The compounds were further assessed using molsoft tools and docking was done using auto-dock tools. The potential bio-actives were selected further the network construction gave insights on the highest degree values. The targets with highest interactions were docked and the complex which showed good binding was selected. It was found that Stigmasterol and Campesterol have the highest potential and can be considered as hit compounds for further studies too.    </abstract><doi>10.54844/cai.2023.0326</doi></addata></record>
fulltext fulltext
identifier ISSN: 2225-6482
ispartof Community acquired infections, 2023-08, Vol.10
issn 2225-6482
2225-6482
language eng
recordid cdi_crossref_primary_10_54844_cai_2023_0326
source EZB-FREE-00999 freely available EZB journals
title Bacterial network construction and molecular docking approach to study interaction of Myristica fragrans on Acne infections: Molecular docking approach to study interaction of Myristica fragrans
url https://sfx.bib-bvb.de/sfx_tum?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2025-01-03T04%3A15%3A44IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-crossref&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=Bacterial%20network%20construction%20and%20molecular%20docking%20approach%20to%20study%20interaction%20of%20Myristica%20fragrans%20on%20Acne%20infections:%20Molecular%20docking%20approach%20to%20study%20interaction%20of%20Myristica%20fragrans&rft.jtitle=Community%20acquired%20infections&rft.au=Ahire,%20Eknath%20D.&rft.date=2023-08-14&rft.volume=10&rft.issn=2225-6482&rft.eissn=2225-6482&rft_id=info:doi/10.54844/cai.2023.0326&rft_dat=%3Ccrossref%3E10_54844_cai_2023_0326%3C/crossref%3E%3Curl%3E%3C/url%3E&disable_directlink=true&sfx.directlink=off&sfx.report_link=0&rft_id=info:oai/&rft_id=info:pmid/&rfr_iscdi=true