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...
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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 |
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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). 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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> |
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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 |
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