In silico molecular docking study of gallic acid as inhibitor epidermal growth factor receptor and Bcl-2

Gallic acid is one of the compounds which usually found in plants. and has been reported to have various biological activities against several cancer cell lines such as leukemia, breast cancer, and colon cancer. This research is aimed to study the stability, affinity, and interaction between gallic...

Ausführliche Beschreibung

Gespeichert in:

Bibliographische Detailangaben
Hauptverfasser:	Amin, Nuril Muhammad Zidni, Prasetyawan, Sasangka, Srihardyastutie, Arie
Format:	Tagungsbericht
Sprache:	eng
Schlagworte:	Acids Anticancer properties Cancer Colon Epidermal growth factor Gallic acid Growth factors Inhibitors Leukemia Molecular docking Receptors
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!

container_end_page
container_issue	1
container_start_page
container_title
container_volume	2360
creator	Amin, Nuril Muhammad Zidni Prasetyawan, Sasangka Srihardyastutie, Arie
description	Gallic acid is one of the compounds which usually found in plants. and has been reported to have various biological activities against several cancer cell lines such as leukemia, breast cancer, and colon cancer. This research is aimed to study the stability, affinity, and interaction between gallic acid and Epidermal Growth Factor Receptor (EGFR) and Bcl-2 by in silico molecular docking. gallic acid which is a ligand is converted into a 30 structure and then docking simulation process is performed against EGFR and Bcl-2. The Result show that The interaction of gallic acid with the EGFR and Bcl-2 receptors is known to have ΔG values of -6.0 kcal/mol to -5.5 kcal/mol, Respectively. Shows that gallic acid have a anticancer activity and as inhibitor epidermal growth factor receptor and Bcl-2.
doi_str_mv	10.1063/5.0059676
format	Conference Proceeding
fullrecord	<record><control><sourceid>proquest_scita</sourceid><recordid>TN_cdi_proquest_journals_2577189128</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>2577189128</sourcerecordid><originalsourceid>FETCH-LOGICAL-p2036-73974588e5f8953820bcb7839e7d1a54a710ab5eb6fea3a883f9fc3c923e7b9e3</originalsourceid><addsrcrecordid>eNp90E1LAzEQBuAgCtbqwX8Q8CZszcdmkxy1-FEoeFHwFmazSZu63azJVum_t6UFb55mGB7egReha0omlFT8TkwIEbqS1QkaUSFoIStanaIRIbosWMk_ztFFzitCmJZSjdBy1uEc2mAjXsfW2U0LCTfRfoZugfOwabY4eryAdkcw2NBgyDh0y1CHISbs-tC4tIYWL1L8GZbYg93fk7Ou3y_QNfjBtgW7RGce2uyujnOM3p8e36Yvxfz1eTa9nxc9I7wqJNeyFEo54ZUWXDFS21oqrp1sKIgSJCVQC1dX3gEHpbjX3nKrGXey1o6P0c0ht0_xa-PyYFZxk7rdS8OElFRpytRO3R5UtmGAIcTO9CmsIW0NJWbfpBHm2OR_-DumP2j6xvNft-90cg</addsrcrecordid><sourcetype>Aggregation Database</sourcetype><iscdi>true</iscdi><recordtype>conference_proceeding</recordtype><pqid>2577189128</pqid></control><display><type>conference_proceeding</type><title>In silico molecular docking study of gallic acid as inhibitor epidermal growth factor receptor and Bcl-2</title><source>AIP Journals Complete</source><creator>Amin, Nuril Muhammad Zidni ; Prasetyawan, Sasangka ; Srihardyastutie, Arie</creator><contributor>Sutapa, I Wayan ; Maahury, Mirella Fonda ; Batkunde, Hermanus ; Elim, Hendry Isaac ; Matdoan, Muh. Yahya ; Joris, Shielda Natalis ; Seumahu, Cecilia Anna</contributor><creatorcontrib>Amin, Nuril Muhammad Zidni ; Prasetyawan, Sasangka ; Srihardyastutie, Arie ; Sutapa, I Wayan ; Maahury, Mirella Fonda ; Batkunde, Hermanus ; Elim, Hendry Isaac ; Matdoan, Muh. Yahya ; Joris, Shielda Natalis ; Seumahu, Cecilia Anna</creatorcontrib><description>Gallic acid is one of the compounds which usually found in plants. and has been reported to have various biological activities against several cancer cell lines such as leukemia, breast cancer, and colon cancer. This research is aimed to study the stability, affinity, and interaction between gallic acid and Epidermal Growth Factor Receptor (EGFR) and Bcl-2 by in silico molecular docking. gallic acid which is a ligand is converted into a 30 structure and then docking simulation process is performed against EGFR and Bcl-2. The Result show that The interaction of gallic acid with the EGFR and Bcl-2 receptors is known to have ΔG values of -6.0 kcal/mol to -5.5 kcal/mol, Respectively. Shows that gallic acid have a anticancer activity and as inhibitor epidermal growth factor receptor and Bcl-2.</description><identifier>ISSN: 0094-243X</identifier><identifier>EISSN: 1551-7616</identifier><identifier>DOI: 10.1063/5.0059676</identifier><identifier>CODEN: APCPCS</identifier><language>eng</language><publisher>Melville: American Institute of Physics</publisher><subject>Acids ; Anticancer properties ; Cancer ; Colon ; Epidermal growth factor ; Gallic acid ; Growth factors ; Inhibitors ; Leukemia ; Molecular docking ; Receptors</subject><ispartof>AIP Conference Proceedings, 2021, Vol.2360 (1)</ispartof><rights>Author(s)</rights><rights>2021 Author(s). Published by AIP Publishing.</rights><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktohtml>$$Uhttps://pubs.aip.org/acp/article-lookup/doi/10.1063/5.0059676$$EHTML$$P50$$Gscitation$$H</linktohtml><link.rule.ids>310,311,315,782,786,791,792,796,4514,23937,23938,25147,27931,27932,76392</link.rule.ids></links><search><contributor>Sutapa, I Wayan</contributor><contributor>Maahury, Mirella Fonda</contributor><contributor>Batkunde, Hermanus</contributor><contributor>Elim, Hendry Isaac</contributor><contributor>Matdoan, Muh. Yahya</contributor><contributor>Joris, Shielda Natalis</contributor><contributor>Seumahu, Cecilia Anna</contributor><creatorcontrib>Amin, Nuril Muhammad Zidni</creatorcontrib><creatorcontrib>Prasetyawan, Sasangka</creatorcontrib><creatorcontrib>Srihardyastutie, Arie</creatorcontrib><title>In silico molecular docking study of gallic acid as inhibitor epidermal growth factor receptor and Bcl-2</title><title>AIP Conference Proceedings</title><description>Gallic acid is one of the compounds which usually found in plants. and has been reported to have various biological activities against several cancer cell lines such as leukemia, breast cancer, and colon cancer. This research is aimed to study the stability, affinity, and interaction between gallic acid and Epidermal Growth Factor Receptor (EGFR) and Bcl-2 by in silico molecular docking. gallic acid which is a ligand is converted into a 30 structure and then docking simulation process is performed against EGFR and Bcl-2. The Result show that The interaction of gallic acid with the EGFR and Bcl-2 receptors is known to have ΔG values of -6.0 kcal/mol to -5.5 kcal/mol, Respectively. Shows that gallic acid have a anticancer activity and as inhibitor epidermal growth factor receptor and Bcl-2.</description><subject>Acids</subject><subject>Anticancer properties</subject><subject>Cancer</subject><subject>Colon</subject><subject>Epidermal growth factor</subject><subject>Gallic acid</subject><subject>Growth factors</subject><subject>Inhibitors</subject><subject>Leukemia</subject><subject>Molecular docking</subject><subject>Receptors</subject><issn>0094-243X</issn><issn>1551-7616</issn><fulltext>true</fulltext><rsrctype>conference_proceeding</rsrctype><creationdate>2021</creationdate><recordtype>conference_proceeding</recordtype><recordid>eNp90E1LAzEQBuAgCtbqwX8Q8CZszcdmkxy1-FEoeFHwFmazSZu63azJVum_t6UFb55mGB7egReha0omlFT8TkwIEbqS1QkaUSFoIStanaIRIbosWMk_ztFFzitCmJZSjdBy1uEc2mAjXsfW2U0LCTfRfoZugfOwabY4eryAdkcw2NBgyDh0y1CHISbs-tC4tIYWL1L8GZbYg93fk7Ou3y_QNfjBtgW7RGce2uyujnOM3p8e36Yvxfz1eTa9nxc9I7wqJNeyFEo54ZUWXDFS21oqrp1sKIgSJCVQC1dX3gEHpbjX3nKrGXey1o6P0c0ht0_xa-PyYFZxk7rdS8OElFRpytRO3R5UtmGAIcTO9CmsIW0NJWbfpBHm2OR_-DumP2j6xvNft-90cg</recordid><startdate>20210928</startdate><enddate>20210928</enddate><creator>Amin, Nuril Muhammad Zidni</creator><creator>Prasetyawan, Sasangka</creator><creator>Srihardyastutie, Arie</creator><general>American Institute of Physics</general><scope>8FD</scope><scope>H8D</scope><scope>L7M</scope></search><sort><creationdate>20210928</creationdate><title>In silico molecular docking study of gallic acid as inhibitor epidermal growth factor receptor and Bcl-2</title><author>Amin, Nuril Muhammad Zidni ; Prasetyawan, Sasangka ; Srihardyastutie, Arie</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-p2036-73974588e5f8953820bcb7839e7d1a54a710ab5eb6fea3a883f9fc3c923e7b9e3</frbrgroupid><rsrctype>conference_proceedings</rsrctype><prefilter>conference_proceedings</prefilter><language>eng</language><creationdate>2021</creationdate><topic>Acids</topic><topic>Anticancer properties</topic><topic>Cancer</topic><topic>Colon</topic><topic>Epidermal growth factor</topic><topic>Gallic acid</topic><topic>Growth factors</topic><topic>Inhibitors</topic><topic>Leukemia</topic><topic>Molecular docking</topic><topic>Receptors</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Amin, Nuril Muhammad Zidni</creatorcontrib><creatorcontrib>Prasetyawan, Sasangka</creatorcontrib><creatorcontrib>Srihardyastutie, Arie</creatorcontrib><collection>Technology Research Database</collection><collection>Aerospace Database</collection><collection>Advanced Technologies Database with Aerospace</collection></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Amin, Nuril Muhammad Zidni</au><au>Prasetyawan, Sasangka</au><au>Srihardyastutie, Arie</au><au>Sutapa, I Wayan</au><au>Maahury, Mirella Fonda</au><au>Batkunde, Hermanus</au><au>Elim, Hendry Isaac</au><au>Matdoan, Muh. Yahya</au><au>Joris, Shielda Natalis</au><au>Seumahu, Cecilia Anna</au><format>book</format><genre>proceeding</genre><ristype>CONF</ristype><atitle>In silico molecular docking study of gallic acid as inhibitor epidermal growth factor receptor and Bcl-2</atitle><btitle>AIP Conference Proceedings</btitle><date>2021-09-28</date><risdate>2021</risdate><volume>2360</volume><issue>1</issue><issn>0094-243X</issn><eissn>1551-7616</eissn><coden>APCPCS</coden><abstract>Gallic acid is one of the compounds which usually found in plants. and has been reported to have various biological activities against several cancer cell lines such as leukemia, breast cancer, and colon cancer. This research is aimed to study the stability, affinity, and interaction between gallic acid and Epidermal Growth Factor Receptor (EGFR) and Bcl-2 by in silico molecular docking. gallic acid which is a ligand is converted into a 30 structure and then docking simulation process is performed against EGFR and Bcl-2. The Result show that The interaction of gallic acid with the EGFR and Bcl-2 receptors is known to have ΔG values of -6.0 kcal/mol to -5.5 kcal/mol, Respectively. Shows that gallic acid have a anticancer activity and as inhibitor epidermal growth factor receptor and Bcl-2.</abstract><cop>Melville</cop><pub>American Institute of Physics</pub><doi>10.1063/5.0059676</doi><tpages>6</tpages><oa>free_for_read</oa></addata></record>
fulltext	fulltext
identifier	ISSN: 0094-243X
ispartof	AIP Conference Proceedings, 2021, Vol.2360 (1)
issn	0094-243X 1551-7616
language	eng
recordid	cdi_proquest_journals_2577189128
source	AIP Journals Complete
subjects	Acids Anticancer properties Cancer Colon Epidermal growth factor Gallic acid Growth factors Inhibitors Leukemia Molecular docking Receptors
title	In silico molecular docking study of gallic acid as inhibitor epidermal growth factor receptor and Bcl-2
url	https://sfx.bib-bvb.de/sfx_tum?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2024-12-06T18%3A10%3A06IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-proquest_scita&rft_val_fmt=info:ofi/fmt:kev:mtx:book&rft.genre=proceeding&rft.atitle=In%20silico%20molecular%20docking%20study%20of%20gallic%20acid%20as%20inhibitor%20epidermal%20growth%20factor%20receptor%20and%20Bcl-2&rft.btitle=AIP%20Conference%20Proceedings&rft.au=Amin,%20Nuril%20Muhammad%20Zidni&rft.date=2021-09-28&rft.volume=2360&rft.issue=1&rft.issn=0094-243X&rft.eissn=1551-7616&rft.coden=APCPCS&rft_id=info:doi/10.1063/5.0059676&rft_dat=%3Cproquest_scita%3E2577189128%3C/proquest_scita%3E%3Curl%3E%3C/url%3E&disable_directlink=true&sfx.directlink=off&sfx.report_link=0&rft_id=info:oai/&rft_pqid=2577189128&rft_id=info:pmid/&rfr_iscdi=true