Study in Silico on Effectiveness of Blood Cockle (Anadara nodifera) Fatty Acid Isolate to Reduce Hypertension
Blood Cockle ( A. nodifera ) have great potential for development, especially in the health sector. One of its essential components are fatty acids, which show potential as antihypertensive agents. This study aims to evaluate the potential of fatty acids in Blood Cockle ( A. nodifera ) as antihypert...
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| Veröffentlicht in: | Thalassas : revista de ciencias del mar 2024-06, Vol.40 (2), p.857-868 |
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| creator | Kamila, Rahmadian Kahfi Zulfa Sururi, Ahmad Misbakhus Arumsari, Maharani Dyah Hendrata, Excelino Wibowo, Dhea Mutiara Fernanda Fajriyah, Luluatul Rahayu, Dwi Anggorowati |
| description | Blood Cockle (
A. nodifera
) have great potential for development, especially in the health sector. One of its essential components are fatty acids, which show potential as antihypertensive agents. This study aims to evaluate the potential of fatty acids in Blood Cockle (
A. nodifera
) as antihypertensive drugs through an in-silico approach using molecular docking method. The stages of this research include extraction, GC–MS analysis, molecular docking analysis, and ADME analysis. The study used angiotensin converting enzyme (ACE) as the target protein and ligand compounds derived from fatty acid isolates and the control drug captopril for comparison. The initial stage includes protein and ligand preparation, molecular docking and visualization. The potential compounds are then evaluated with Lipinski’s rule. The results showed that 5,8,11,14,17-Eicosapentaenoic acid have potential as ACE inhibitors, thus showing potential as antihypertensive drugs. More research is needed, including in vitro and in vivo testing, to optimize the medical potential of Blood Cockle (
A. nodifera
). |
| doi_str_mv | 10.1007/s41208-024-00679-1 |
| format | Article |
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A. nodifera
) have great potential for development, especially in the health sector. One of its essential components are fatty acids, which show potential as antihypertensive agents. This study aims to evaluate the potential of fatty acids in Blood Cockle (
A. nodifera
) as antihypertensive drugs through an in-silico approach using molecular docking method. The stages of this research include extraction, GC–MS analysis, molecular docking analysis, and ADME analysis. The study used angiotensin converting enzyme (ACE) as the target protein and ligand compounds derived from fatty acid isolates and the control drug captopril for comparison. The initial stage includes protein and ligand preparation, molecular docking and visualization. The potential compounds are then evaluated with Lipinski’s rule. The results showed that 5,8,11,14,17-Eicosapentaenoic acid have potential as ACE inhibitors, thus showing potential as antihypertensive drugs. More research is needed, including in vitro and in vivo testing, to optimize the medical potential of Blood Cockle (
A. nodifera
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A. nodifera
) have great potential for development, especially in the health sector. One of its essential components are fatty acids, which show potential as antihypertensive agents. This study aims to evaluate the potential of fatty acids in Blood Cockle (
A. nodifera
) as antihypertensive drugs through an in-silico approach using molecular docking method. The stages of this research include extraction, GC–MS analysis, molecular docking analysis, and ADME analysis. The study used angiotensin converting enzyme (ACE) as the target protein and ligand compounds derived from fatty acid isolates and the control drug captopril for comparison. The initial stage includes protein and ligand preparation, molecular docking and visualization. The potential compounds are then evaluated with Lipinski’s rule. The results showed that 5,8,11,14,17-Eicosapentaenoic acid have potential as ACE inhibitors, thus showing potential as antihypertensive drugs. More research is needed, including in vitro and in vivo testing, to optimize the medical potential of Blood Cockle (
A. nodifera
).</description><subject>Angiotensin</subject><subject>Angiotensin-converting enzyme inhibitors</subject><subject>Antihypertensives</subject><subject>Captopril</subject><subject>Coastal Sciences</subject><subject>Drug development</subject><subject>Drugs</subject><subject>Earth and Environmental Science</subject><subject>Earth Sciences</subject><subject>Eicosapentaenoic acid</subject><subject>Fatty acids</subject><subject>Fish & Wildlife Biology & Management</subject><subject>Freshwater & Marine Ecology</subject><subject>Hypertension</subject><subject>In vivo methods and tests</subject><subject>Ligands</subject><subject>Marine & Freshwater Sciences</subject><subject>Molecular docking</subject><subject>Oceanography</subject><subject>Peptidyl-dipeptidase A</subject><subject>Proteins</subject><issn>0212-5919</issn><issn>2366-1674</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2024</creationdate><recordtype>article</recordtype><recordid>eNp9kE1LAzEQhoMoWNQ_4CngRQ-rk4_ddI-1-AWC4Mc5xGQiW7dJTVKh_95oBW_OYebyvDPDQ8gxg3MGoC6yZBymDXDZAHSqb9gOmXDRdQ3rlNwlE-CMN23P-n1ylPMCarWqr8SELJ_K2m3oEOjTMA420hjolfdoy_CJAXOm0dPLMUZH59G-j0hPZ8E4kwwN0Q0ekzmj16aUDZ3ZwdG7HEdTkJZIH9GtLdLbzQpTwZCHGA7JnjdjxqPfeUBerq-e57fN_cPN3Xx231iuoDRWeWel7KfcgBDf33MvAbFF--o8k0pJ2SonlOWt7FtTW-9sC6IDlL0AcUBOtntXKX6sMRe9iOsU6kktQHVTUePTSvEtZVPMOaHXqzQsTdpoBvrbrN6a1dWs_jGrWQ2JbShXOLxh-lv9T-oLqDR5_A</recordid><startdate>20240601</startdate><enddate>20240601</enddate><creator>Kamila, Rahmadian Kahfi Zulfa</creator><creator>Sururi, Ahmad Misbakhus</creator><creator>Arumsari, Maharani Dyah</creator><creator>Hendrata, Excelino</creator><creator>Wibowo, Dhea Mutiara Fernanda</creator><creator>Fajriyah, Luluatul</creator><creator>Rahayu, Dwi Anggorowati</creator><general>Springer International Publishing</general><general>Springer Nature B.V</general><scope>AAYXX</scope><scope>CITATION</scope><scope>7QL</scope><scope>7QP</scope><scope>7T7</scope><scope>7TN</scope><scope>7U9</scope><scope>7UA</scope><scope>8FD</scope><scope>C1K</scope><scope>F1W</scope><scope>FR3</scope><scope>H94</scope><scope>M7N</scope><scope>P64</scope></search><sort><creationdate>20240601</creationdate><title>Study in Silico on Effectiveness of Blood Cockle (Anadara nodifera) Fatty Acid Isolate to Reduce Hypertension</title><author>Kamila, Rahmadian Kahfi Zulfa ; Sururi, Ahmad Misbakhus ; Arumsari, Maharani Dyah ; Hendrata, Excelino ; Wibowo, Dhea Mutiara Fernanda ; Fajriyah, Luluatul ; Rahayu, Dwi Anggorowati</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c270t-c7fdc44982a03302122f40ee5ecbdf14774457d37c25495a5499dc50360e49303</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2024</creationdate><topic>Angiotensin</topic><topic>Angiotensin-converting enzyme inhibitors</topic><topic>Antihypertensives</topic><topic>Captopril</topic><topic>Coastal Sciences</topic><topic>Drug development</topic><topic>Drugs</topic><topic>Earth and Environmental Science</topic><topic>Earth Sciences</topic><topic>Eicosapentaenoic acid</topic><topic>Fatty acids</topic><topic>Fish & Wildlife Biology & Management</topic><topic>Freshwater & Marine Ecology</topic><topic>Hypertension</topic><topic>In vivo methods and tests</topic><topic>Ligands</topic><topic>Marine & Freshwater Sciences</topic><topic>Molecular docking</topic><topic>Oceanography</topic><topic>Peptidyl-dipeptidase A</topic><topic>Proteins</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Kamila, Rahmadian Kahfi Zulfa</creatorcontrib><creatorcontrib>Sururi, Ahmad Misbakhus</creatorcontrib><creatorcontrib>Arumsari, Maharani Dyah</creatorcontrib><creatorcontrib>Hendrata, Excelino</creatorcontrib><creatorcontrib>Wibowo, Dhea Mutiara Fernanda</creatorcontrib><creatorcontrib>Fajriyah, Luluatul</creatorcontrib><creatorcontrib>Rahayu, Dwi Anggorowati</creatorcontrib><collection>CrossRef</collection><collection>Bacteriology Abstracts (Microbiology B)</collection><collection>Calcium & Calcified Tissue Abstracts</collection><collection>Industrial and Applied Microbiology Abstracts (Microbiology A)</collection><collection>Oceanic Abstracts</collection><collection>Virology and AIDS Abstracts</collection><collection>Water Resources Abstracts</collection><collection>Technology Research Database</collection><collection>Environmental Sciences and Pollution Management</collection><collection>ASFA: Aquatic Sciences and Fisheries Abstracts</collection><collection>Engineering Research Database</collection><collection>AIDS and Cancer Research Abstracts</collection><collection>Algology Mycology and Protozoology Abstracts (Microbiology C)</collection><collection>Biotechnology and BioEngineering Abstracts</collection><jtitle>Thalassas : revista de ciencias del mar</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Kamila, Rahmadian Kahfi Zulfa</au><au>Sururi, Ahmad Misbakhus</au><au>Arumsari, Maharani Dyah</au><au>Hendrata, Excelino</au><au>Wibowo, Dhea Mutiara Fernanda</au><au>Fajriyah, Luluatul</au><au>Rahayu, Dwi Anggorowati</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Study in Silico on Effectiveness of Blood Cockle (Anadara nodifera) Fatty Acid Isolate to Reduce Hypertension</atitle><jtitle>Thalassas : revista de ciencias del mar</jtitle><stitle>Thalassas</stitle><date>2024-06-01</date><risdate>2024</risdate><volume>40</volume><issue>2</issue><spage>857</spage><epage>868</epage><pages>857-868</pages><issn>0212-5919</issn><eissn>2366-1674</eissn><abstract>Blood Cockle (
A. nodifera
) have great potential for development, especially in the health sector. One of its essential components are fatty acids, which show potential as antihypertensive agents. This study aims to evaluate the potential of fatty acids in Blood Cockle (
A. nodifera
) as antihypertensive drugs through an in-silico approach using molecular docking method. The stages of this research include extraction, GC–MS analysis, molecular docking analysis, and ADME analysis. The study used angiotensin converting enzyme (ACE) as the target protein and ligand compounds derived from fatty acid isolates and the control drug captopril for comparison. The initial stage includes protein and ligand preparation, molecular docking and visualization. The potential compounds are then evaluated with Lipinski’s rule. The results showed that 5,8,11,14,17-Eicosapentaenoic acid have potential as ACE inhibitors, thus showing potential as antihypertensive drugs. More research is needed, including in vitro and in vivo testing, to optimize the medical potential of Blood Cockle (
A. nodifera
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| subjects | Angiotensin Angiotensin-converting enzyme inhibitors Antihypertensives Captopril Coastal Sciences Drug development Drugs Earth and Environmental Science Earth Sciences Eicosapentaenoic acid Fatty acids Fish & Wildlife Biology & Management Freshwater & Marine Ecology Hypertension In vivo methods and tests Ligands Marine & Freshwater Sciences Molecular docking Oceanography Peptidyl-dipeptidase A Proteins |
| title | Study in Silico on Effectiveness of Blood Cockle (Anadara nodifera) Fatty Acid Isolate to Reduce Hypertension |
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