Integrating Network Pharmacology and Molecular Docking Approach to Elucidate the Mechanism of Commiphora wightii for the Treatment of Rheumatoid Arthritis
Background: Rheumatoid arthritis (RA) is considered a notable prolonged inflammatory condition with no proper cure. Synovial inflammation and synovial pannus are crucial in the onset of RA. The “tumor-like” invading proliferation of new arteries is a keynote of RA. Commiphora wightii (C wightii) is...
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creator | Abdel-Maksoud, Mostafa A Askar, Mostafa A Abdel-rahman, Ibrahim Y Gharib, Mustafa Aufy, Mohammed |
description | Background:
Rheumatoid arthritis (RA) is considered a notable prolonged inflammatory condition with no proper cure. Synovial inflammation and synovial pannus are crucial in the onset of RA. The “tumor-like” invading proliferation of new arteries is a keynote of RA. Commiphora wightii (C wightii) is a perennial, deciduous, and trifoliate plant used in several areas of southeast Asia to cure numerous ailments, including arthritis, diabetes, obesity, and asthma. Several in vitro investigations have indicated C wightii’s therapeutic efficacy in the treatment of arthritis. However, the precise molecular action is yet unknown.
Material and methods:
In this study, a network pharmacology approach was applied to uncover potential targets, active therapeutic ingredients and signaling pathways in C wightii for the treatment of arthritis. In the groundwork of this research, we examined the active constituent-compound-target-pathway network and evaluated that (Guggulsterol-V, Myrrhahnone B, and Campesterol) decisively donated to the development of arthritis by affecting tumor necrosis factor (TNF), PIK3CA, and MAPK3 genes. Later on, docking was employed to confirm the active components’ efficiency against the potential targets.
Results:
According to molecular-docking research, several potential targets of RA bind tightly with the corresponding key active ingredient of C wightii. With the aid of network pharmacology techniques, we conclude that the signaling pathways and biological processes involved in C wightii had an impact on the prevention of arthritis. The outcomes of molecular docking also serve as strong recommendations for future research. In the context of this study, network pharmacology combined with molecular docking analysis showed that C wightii acted on arthritis-related signaling pathways to exhibit a promising preventive impact on arthritis.
Conclusion:
These results serve as the basis for grasping the mechanism of the antiarthritis activity of C wightii. However, further in vivo/in vitro study is needed to verify the reliability of these targets for the treatment of arthritis. |
doi_str_mv | 10.1177/11779322241247634 |
format | Article |
fullrecord | <record><control><sourceid>proquest_pubme</sourceid><recordid>TN_cdi_pubmedcentral_primary_oai_pubmedcentral_nih_gov_11102677</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sage_id>10.1177_11779322241247634</sage_id><sourcerecordid>3149764491</sourcerecordid><originalsourceid>FETCH-LOGICAL-c419t-3de42b88617e35b36d80b74ba9906d769b78af4f5e37f3bf3f0aa02f7d6453593</originalsourceid><addsrcrecordid>eNp1kc9u1DAQxiMEon_gAbggS1y4bLFjx05OaLUUqNQCQuVsTZxx4jaJt7ZD1Vfp05KwpRQQl5nR-DefZ_Rl2QtGjxhT6s0SKp7nuWC5UJKLR9n-0lstzccP6r3sIMYLSiUrlXya7fE5FTTP97PbkzFhGyC5sSWfMF37cEm-dBAGML737Q2BsSFnvkcz9RDIO28uF3S93QYPpiPJk-N-Mq6BhCR1SM7QdDC6OBBvycYPg9t2PgC5dm2XnCPWh5_ceUBIA45p4b52OA2QvGvIOqQuuOTis-yJhT7i87t8mH17f3y--bg6_fzhZLM-XRnBqrTiDYq8LkvJFPKi5rIpaa1EDVVFZaNkVasSrLAFcmV5bbmlADS3qpGi4EXFD7O3O93tVA_YmHmlAL3eBjdAuNEenP7zZXSdbv13zRijuVRqVnh9pxD81YQx6cFFg30PI_opak4LRWd_-IK--gu98FMY5_s0Z6JSUoiKzRTbUSb4GAPa-20Y1Yur-h_r55mXD8-4n_jl9Qwc7YAILf7-9v-KPwCE4rlz</addsrcrecordid><sourcetype>Open Access Repository</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype><pqid>3149764491</pqid></control><display><type>article</type><title>Integrating Network Pharmacology and Molecular Docking Approach to Elucidate the Mechanism of Commiphora wightii for the Treatment of Rheumatoid Arthritis</title><source>DOAJ Directory of Open Access Journals</source><source>Sage Journals GOLD Open Access 2024</source><source>Elektronische Zeitschriftenbibliothek - Frei zugängliche E-Journals</source><source>PubMed Central Open Access</source><source>PubMed Central</source><creator>Abdel-Maksoud, Mostafa A ; Askar, Mostafa A ; Abdel-rahman, Ibrahim Y ; Gharib, Mustafa ; Aufy, Mohammed</creator><creatorcontrib>Abdel-Maksoud, Mostafa A ; Askar, Mostafa A ; Abdel-rahman, Ibrahim Y ; Gharib, Mustafa ; Aufy, Mohammed</creatorcontrib><description>Background:
Rheumatoid arthritis (RA) is considered a notable prolonged inflammatory condition with no proper cure. Synovial inflammation and synovial pannus are crucial in the onset of RA. The “tumor-like” invading proliferation of new arteries is a keynote of RA. Commiphora wightii (C wightii) is a perennial, deciduous, and trifoliate plant used in several areas of southeast Asia to cure numerous ailments, including arthritis, diabetes, obesity, and asthma. Several in vitro investigations have indicated C wightii’s therapeutic efficacy in the treatment of arthritis. However, the precise molecular action is yet unknown.
Material and methods:
In this study, a network pharmacology approach was applied to uncover potential targets, active therapeutic ingredients and signaling pathways in C wightii for the treatment of arthritis. In the groundwork of this research, we examined the active constituent-compound-target-pathway network and evaluated that (Guggulsterol-V, Myrrhahnone B, and Campesterol) decisively donated to the development of arthritis by affecting tumor necrosis factor (TNF), PIK3CA, and MAPK3 genes. Later on, docking was employed to confirm the active components’ efficiency against the potential targets.
Results:
According to molecular-docking research, several potential targets of RA bind tightly with the corresponding key active ingredient of C wightii. With the aid of network pharmacology techniques, we conclude that the signaling pathways and biological processes involved in C wightii had an impact on the prevention of arthritis. The outcomes of molecular docking also serve as strong recommendations for future research. In the context of this study, network pharmacology combined with molecular docking analysis showed that C wightii acted on arthritis-related signaling pathways to exhibit a promising preventive impact on arthritis.
Conclusion:
These results serve as the basis for grasping the mechanism of the antiarthritis activity of C wightii. However, further in vivo/in vitro study is needed to verify the reliability of these targets for the treatment of arthritis.</description><identifier>ISSN: 1177-9322</identifier><identifier>EISSN: 1177-9322</identifier><identifier>DOI: 10.1177/11779322241247634</identifier><identifier>PMID: 38765022</identifier><language>eng</language><publisher>London, England: SAGE Publications</publisher><subject>Arteries ; Arthritis ; Autoimmune diseases ; Biological activity ; Commiphora wightii ; Diabetes mellitus ; Impact analysis ; In vivo methods and tests ; Molecular docking ; Original ; Pharmacology ; Rheumatoid arthritis ; Signal transduction ; Tumor necrosis factor-TNF</subject><ispartof>Bioinformatics and biology insights, 2024-01, Vol.18, p.11779322241247634-11779322241247634</ispartof><rights>The Author(s) 2024</rights><rights>The Author(s) 2024.</rights><rights>The Author(s) 2024. This work is licensed under the Creative Commons Attribution – Non-Commercial License https://creativecommons.org/licenses/by-nc/4.0/ (the “License”). Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License.</rights><rights>The Author(s) 2024 2024 SAGE Publications Ltd unless otherwise noted. Manuscript content on this site is licensed under Creative Commons Licenses</rights><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><cites>FETCH-LOGICAL-c419t-3de42b88617e35b36d80b74ba9906d769b78af4f5e37f3bf3f0aa02f7d6453593</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC11102677/pdf/$$EPDF$$P50$$Gpubmedcentral$$Hfree_for_read</linktopdf><linktohtml>$$Uhttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC11102677/$$EHTML$$P50$$Gpubmedcentral$$Hfree_for_read</linktohtml><link.rule.ids>230,314,724,777,781,861,882,21947,27834,27905,27906,44926,45314,53772,53774</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/38765022$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Abdel-Maksoud, Mostafa A</creatorcontrib><creatorcontrib>Askar, Mostafa A</creatorcontrib><creatorcontrib>Abdel-rahman, Ibrahim Y</creatorcontrib><creatorcontrib>Gharib, Mustafa</creatorcontrib><creatorcontrib>Aufy, Mohammed</creatorcontrib><title>Integrating Network Pharmacology and Molecular Docking Approach to Elucidate the Mechanism of Commiphora wightii for the Treatment of Rheumatoid Arthritis</title><title>Bioinformatics and biology insights</title><addtitle>Bioinform Biol Insights</addtitle><description>Background:
Rheumatoid arthritis (RA) is considered a notable prolonged inflammatory condition with no proper cure. Synovial inflammation and synovial pannus are crucial in the onset of RA. The “tumor-like” invading proliferation of new arteries is a keynote of RA. Commiphora wightii (C wightii) is a perennial, deciduous, and trifoliate plant used in several areas of southeast Asia to cure numerous ailments, including arthritis, diabetes, obesity, and asthma. Several in vitro investigations have indicated C wightii’s therapeutic efficacy in the treatment of arthritis. However, the precise molecular action is yet unknown.
Material and methods:
In this study, a network pharmacology approach was applied to uncover potential targets, active therapeutic ingredients and signaling pathways in C wightii for the treatment of arthritis. In the groundwork of this research, we examined the active constituent-compound-target-pathway network and evaluated that (Guggulsterol-V, Myrrhahnone B, and Campesterol) decisively donated to the development of arthritis by affecting tumor necrosis factor (TNF), PIK3CA, and MAPK3 genes. Later on, docking was employed to confirm the active components’ efficiency against the potential targets.
Results:
According to molecular-docking research, several potential targets of RA bind tightly with the corresponding key active ingredient of C wightii. With the aid of network pharmacology techniques, we conclude that the signaling pathways and biological processes involved in C wightii had an impact on the prevention of arthritis. The outcomes of molecular docking also serve as strong recommendations for future research. In the context of this study, network pharmacology combined with molecular docking analysis showed that C wightii acted on arthritis-related signaling pathways to exhibit a promising preventive impact on arthritis.
Conclusion:
These results serve as the basis for grasping the mechanism of the antiarthritis activity of C wightii. However, further in vivo/in vitro study is needed to verify the reliability of these targets for the treatment of arthritis.</description><subject>Arteries</subject><subject>Arthritis</subject><subject>Autoimmune diseases</subject><subject>Biological activity</subject><subject>Commiphora wightii</subject><subject>Diabetes mellitus</subject><subject>Impact analysis</subject><subject>In vivo methods and tests</subject><subject>Molecular docking</subject><subject>Original</subject><subject>Pharmacology</subject><subject>Rheumatoid arthritis</subject><subject>Signal transduction</subject><subject>Tumor necrosis factor-TNF</subject><issn>1177-9322</issn><issn>1177-9322</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2024</creationdate><recordtype>article</recordtype><sourceid>AFRWT</sourceid><sourceid>ABUWG</sourceid><sourceid>AFKRA</sourceid><sourceid>AZQEC</sourceid><sourceid>BENPR</sourceid><sourceid>CCPQU</sourceid><sourceid>DWQXO</sourceid><sourceid>GNUQQ</sourceid><recordid>eNp1kc9u1DAQxiMEon_gAbggS1y4bLFjx05OaLUUqNQCQuVsTZxx4jaJt7ZD1Vfp05KwpRQQl5nR-DefZ_Rl2QtGjxhT6s0SKp7nuWC5UJKLR9n-0lstzccP6r3sIMYLSiUrlXya7fE5FTTP97PbkzFhGyC5sSWfMF37cEm-dBAGML737Q2BsSFnvkcz9RDIO28uF3S93QYPpiPJk-N-Mq6BhCR1SM7QdDC6OBBvycYPg9t2PgC5dm2XnCPWh5_ceUBIA45p4b52OA2QvGvIOqQuuOTis-yJhT7i87t8mH17f3y--bg6_fzhZLM-XRnBqrTiDYq8LkvJFPKi5rIpaa1EDVVFZaNkVasSrLAFcmV5bbmlADS3qpGi4EXFD7O3O93tVA_YmHmlAL3eBjdAuNEenP7zZXSdbv13zRijuVRqVnh9pxD81YQx6cFFg30PI_opak4LRWd_-IK--gu98FMY5_s0Z6JSUoiKzRTbUSb4GAPa-20Y1Yur-h_r55mXD8-4n_jl9Qwc7YAILf7-9v-KPwCE4rlz</recordid><startdate>20240101</startdate><enddate>20240101</enddate><creator>Abdel-Maksoud, Mostafa A</creator><creator>Askar, Mostafa A</creator><creator>Abdel-rahman, Ibrahim Y</creator><creator>Gharib, Mustafa</creator><creator>Aufy, Mohammed</creator><general>SAGE Publications</general><general>Sage Publications Ltd</general><scope>AFRWT</scope><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>3V.</scope><scope>7QO</scope><scope>7XB</scope><scope>8AL</scope><scope>8FD</scope><scope>8FE</scope><scope>8FG</scope><scope>8FH</scope><scope>8FK</scope><scope>ABUWG</scope><scope>AEUYN</scope><scope>AFKRA</scope><scope>ARAPS</scope><scope>AYAGU</scope><scope>AZQEC</scope><scope>BBNVY</scope><scope>BENPR</scope><scope>BGLVJ</scope><scope>BHPHI</scope><scope>CCPQU</scope><scope>DWQXO</scope><scope>FR3</scope><scope>GNUQQ</scope><scope>HCIFZ</scope><scope>JQ2</scope><scope>K7-</scope><scope>LK8</scope><scope>M0N</scope><scope>M7P</scope><scope>P5Z</scope><scope>P62</scope><scope>P64</scope><scope>PIMPY</scope><scope>PQEST</scope><scope>PQQKQ</scope><scope>PQUKI</scope><scope>PRINS</scope><scope>Q9U</scope><scope>7X8</scope><scope>5PM</scope></search><sort><creationdate>20240101</creationdate><title>Integrating Network Pharmacology and Molecular Docking Approach to Elucidate the Mechanism of Commiphora wightii for the Treatment of Rheumatoid Arthritis</title><author>Abdel-Maksoud, Mostafa A ; Askar, Mostafa A ; Abdel-rahman, Ibrahim Y ; Gharib, Mustafa ; Aufy, Mohammed</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c419t-3de42b88617e35b36d80b74ba9906d769b78af4f5e37f3bf3f0aa02f7d6453593</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2024</creationdate><topic>Arteries</topic><topic>Arthritis</topic><topic>Autoimmune diseases</topic><topic>Biological activity</topic><topic>Commiphora wightii</topic><topic>Diabetes mellitus</topic><topic>Impact analysis</topic><topic>In vivo methods and tests</topic><topic>Molecular docking</topic><topic>Original</topic><topic>Pharmacology</topic><topic>Rheumatoid arthritis</topic><topic>Signal transduction</topic><topic>Tumor necrosis factor-TNF</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Abdel-Maksoud, Mostafa A</creatorcontrib><creatorcontrib>Askar, Mostafa A</creatorcontrib><creatorcontrib>Abdel-rahman, Ibrahim Y</creatorcontrib><creatorcontrib>Gharib, Mustafa</creatorcontrib><creatorcontrib>Aufy, Mohammed</creatorcontrib><collection>Sage Journals GOLD Open Access 2024</collection><collection>PubMed</collection><collection>CrossRef</collection><collection>ProQuest Central (Corporate)</collection><collection>Biotechnology Research Abstracts</collection><collection>ProQuest Central (purchase pre-March 2016)</collection><collection>Computing Database (Alumni Edition)</collection><collection>Technology Research Database</collection><collection>ProQuest SciTech Collection</collection><collection>ProQuest Technology Collection</collection><collection>ProQuest Natural Science Collection</collection><collection>ProQuest Central (Alumni) (purchase pre-March 2016)</collection><collection>ProQuest Central (Alumni Edition)</collection><collection>ProQuest One Sustainability</collection><collection>ProQuest Central UK/Ireland</collection><collection>Advanced Technologies & Aerospace Collection</collection><collection>Australia & New Zealand Database</collection><collection>ProQuest Central Essentials</collection><collection>Biological Science Collection</collection><collection>ProQuest Central</collection><collection>Technology Collection</collection><collection>Natural Science Collection</collection><collection>ProQuest One Community College</collection><collection>ProQuest Central Korea</collection><collection>Engineering Research Database</collection><collection>ProQuest Central Student</collection><collection>SciTech Premium Collection</collection><collection>ProQuest Computer Science Collection</collection><collection>Computer Science Database</collection><collection>ProQuest Biological Science Collection</collection><collection>Computing Database</collection><collection>Biological Science Database</collection><collection>Advanced Technologies & Aerospace Database</collection><collection>ProQuest Advanced Technologies & Aerospace Collection</collection><collection>Biotechnology and BioEngineering Abstracts</collection><collection>Publicly Available Content Database</collection><collection>ProQuest One Academic Eastern Edition (DO NOT USE)</collection><collection>ProQuest One Academic</collection><collection>ProQuest One Academic UKI Edition</collection><collection>ProQuest Central China</collection><collection>ProQuest Central Basic</collection><collection>MEDLINE - Academic</collection><collection>PubMed Central (Full Participant titles)</collection><jtitle>Bioinformatics and biology insights</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Abdel-Maksoud, Mostafa A</au><au>Askar, Mostafa A</au><au>Abdel-rahman, Ibrahim Y</au><au>Gharib, Mustafa</au><au>Aufy, Mohammed</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Integrating Network Pharmacology and Molecular Docking Approach to Elucidate the Mechanism of Commiphora wightii for the Treatment of Rheumatoid Arthritis</atitle><jtitle>Bioinformatics and biology insights</jtitle><addtitle>Bioinform Biol Insights</addtitle><date>2024-01-01</date><risdate>2024</risdate><volume>18</volume><spage>11779322241247634</spage><epage>11779322241247634</epage><pages>11779322241247634-11779322241247634</pages><issn>1177-9322</issn><eissn>1177-9322</eissn><abstract>Background:
Rheumatoid arthritis (RA) is considered a notable prolonged inflammatory condition with no proper cure. Synovial inflammation and synovial pannus are crucial in the onset of RA. The “tumor-like” invading proliferation of new arteries is a keynote of RA. Commiphora wightii (C wightii) is a perennial, deciduous, and trifoliate plant used in several areas of southeast Asia to cure numerous ailments, including arthritis, diabetes, obesity, and asthma. Several in vitro investigations have indicated C wightii’s therapeutic efficacy in the treatment of arthritis. However, the precise molecular action is yet unknown.
Material and methods:
In this study, a network pharmacology approach was applied to uncover potential targets, active therapeutic ingredients and signaling pathways in C wightii for the treatment of arthritis. In the groundwork of this research, we examined the active constituent-compound-target-pathway network and evaluated that (Guggulsterol-V, Myrrhahnone B, and Campesterol) decisively donated to the development of arthritis by affecting tumor necrosis factor (TNF), PIK3CA, and MAPK3 genes. Later on, docking was employed to confirm the active components’ efficiency against the potential targets.
Results:
According to molecular-docking research, several potential targets of RA bind tightly with the corresponding key active ingredient of C wightii. With the aid of network pharmacology techniques, we conclude that the signaling pathways and biological processes involved in C wightii had an impact on the prevention of arthritis. The outcomes of molecular docking also serve as strong recommendations for future research. In the context of this study, network pharmacology combined with molecular docking analysis showed that C wightii acted on arthritis-related signaling pathways to exhibit a promising preventive impact on arthritis.
Conclusion:
These results serve as the basis for grasping the mechanism of the antiarthritis activity of C wightii. However, further in vivo/in vitro study is needed to verify the reliability of these targets for the treatment of arthritis.</abstract><cop>London, England</cop><pub>SAGE Publications</pub><pmid>38765022</pmid><doi>10.1177/11779322241247634</doi><oa>free_for_read</oa></addata></record> |
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source | DOAJ Directory of Open Access Journals; Sage Journals GOLD Open Access 2024; Elektronische Zeitschriftenbibliothek - Frei zugängliche E-Journals; PubMed Central Open Access; PubMed Central |
subjects | Arteries Arthritis Autoimmune diseases Biological activity Commiphora wightii Diabetes mellitus Impact analysis In vivo methods and tests Molecular docking Original Pharmacology Rheumatoid arthritis Signal transduction Tumor necrosis factor-TNF |
title | Integrating Network Pharmacology and Molecular Docking Approach to Elucidate the Mechanism of Commiphora wightii for the Treatment of Rheumatoid Arthritis |
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