The Biological Function Prediction of The 10-gingerol Compound of Ginger in Inhibiting Cyclooxygenase-2 Activity

Anti-inflammatory agents inhibit prostaglandin synthesis by blocking cyclooxygenases (COXs). The compounds extracted from ginger, 10-gingerol and 10-shogaol can inhibit inflammation but the mechanism of inhibition remains unclear. Here we used molecular docking to predict the molecular interactions...

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Autores principales:	Gabriella Chandrakirana Krisnamurti, Fatchiyah Fatchiyah
Formato:	article
Lenguaje:	EN
Publicado:	University of Brawijaya 2020
Materias:	10-gingerol 10-shogaol acetaminophen cyclooxygenase ginger inflammation Chemistry QD1-999
Acceso en línea:	https://doaj.org/article/9518f03effdd490fa8d145b2f14de864
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spelling	oai:doaj.org-article:9518f03effdd490fa8d145b2f14de8642021-11-24T10:31:11ZThe Biological Function Prediction of The 10-gingerol Compound of Ginger in Inhibiting Cyclooxygenase-2 Activity2302-46902541-0733https://doaj.org/article/9518f03effdd490fa8d145b2f14de8642020-12-01T00:00:00Zhttps://jpacr.ub.ac.id/index.php/jpacr/article/view/547/pdfhttps://doaj.org/toc/2302-4690https://doaj.org/toc/2541-0733Anti-inflammatory agents inhibit prostaglandin synthesis by blocking cyclooxygenases (COXs). The compounds extracted from ginger, 10-gingerol and 10-shogaol can inhibit inflammation but the mechanism of inhibition remains unclear. Here we used molecular docking to predict the molecular interactions between COXs and the three inhibitors, acetaminophen (CID1983), 10-gingerol (CID168115) and 10-shogaol (CID6442612). By using that acetaminophen as a gold standard, the results demonstrated that acetaminophen, 10-gingerol, and 10-shogaol could bind catalytic domain and membrane binding domain of cyclooxygenase-1 (COX-1) and cyclooxygenase-2 (COX-2). The 10-shogaol did not show significantly different binding energy to bind to COX-1 and COX-2. The 10-gingerol posed a stronger and more specific binding to the membrane-binding domain of COX-2 than acetaminophen and 10-shogaol. The specific binding of the 10-gingerol to COX-2 could prevent the binding of the natural substrate, arachidonic acid. The results provide useful information to improving activities of anti-inflammatory.Gabriella Chandrakirana KrisnamurtiFatchiyah FatchiyahUniversity of Brawijayaarticle10-gingerol10-shogaolacetaminophencyclooxygenasegingerinflammationChemistryQD1-999ENJournal of Pure and Applied Chemistry Research, Vol 09, Iss 3, Pp 222-232 (2020)
institution	DOAJ
collection	DOAJ
language	EN
topic	10-gingerol 10-shogaol acetaminophen cyclooxygenase ginger inflammation Chemistry QD1-999
spellingShingle	10-gingerol 10-shogaol acetaminophen cyclooxygenase ginger inflammation Chemistry QD1-999 Gabriella Chandrakirana Krisnamurti Fatchiyah Fatchiyah The Biological Function Prediction of The 10-gingerol Compound of Ginger in Inhibiting Cyclooxygenase-2 Activity
description	Anti-inflammatory agents inhibit prostaglandin synthesis by blocking cyclooxygenases (COXs). The compounds extracted from ginger, 10-gingerol and 10-shogaol can inhibit inflammation but the mechanism of inhibition remains unclear. Here we used molecular docking to predict the molecular interactions between COXs and the three inhibitors, acetaminophen (CID1983), 10-gingerol (CID168115) and 10-shogaol (CID6442612). By using that acetaminophen as a gold standard, the results demonstrated that acetaminophen, 10-gingerol, and 10-shogaol could bind catalytic domain and membrane binding domain of cyclooxygenase-1 (COX-1) and cyclooxygenase-2 (COX-2). The 10-shogaol did not show significantly different binding energy to bind to COX-1 and COX-2. The 10-gingerol posed a stronger and more specific binding to the membrane-binding domain of COX-2 than acetaminophen and 10-shogaol. The specific binding of the 10-gingerol to COX-2 could prevent the binding of the natural substrate, arachidonic acid. The results provide useful information to improving activities of anti-inflammatory.
format	article
author	Gabriella Chandrakirana Krisnamurti Fatchiyah Fatchiyah
author_facet	Gabriella Chandrakirana Krisnamurti Fatchiyah Fatchiyah
author_sort	Gabriella Chandrakirana Krisnamurti
title	The Biological Function Prediction of The 10-gingerol Compound of Ginger in Inhibiting Cyclooxygenase-2 Activity
title_short	The Biological Function Prediction of The 10-gingerol Compound of Ginger in Inhibiting Cyclooxygenase-2 Activity
title_full	The Biological Function Prediction of The 10-gingerol Compound of Ginger in Inhibiting Cyclooxygenase-2 Activity
title_fullStr	The Biological Function Prediction of The 10-gingerol Compound of Ginger in Inhibiting Cyclooxygenase-2 Activity
title_full_unstemmed	The Biological Function Prediction of The 10-gingerol Compound of Ginger in Inhibiting Cyclooxygenase-2 Activity
title_sort	biological function prediction of the 10-gingerol compound of ginger in inhibiting cyclooxygenase-2 activity
publisher	University of Brawijaya
publishDate	2020
url	https://doaj.org/article/9518f03effdd490fa8d145b2f14de864
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The Biological Function Prediction of The 10-gingerol Compound of Ginger in Inhibiting Cyclooxygenase-2 Activity

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