The Biological Function Prediction of The 10-gingerol Compound of Ginger in Inhibiting Cyclooxygenase-2 Activity
| Main Authors: | Chandrakirana Krisnamurti, Gabriella, Fatchiyah, Fatchiyah |
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| Other Authors: | The authors acknowledge to SMONAGENES Research Center, Brawijaya University and Dr. Sentot Joko Raharjo for docking analysis assistance. This research was aid by national research grant (HIKOM) from DGHE Ministry of Republic Indonesia. |
| Format: | Article info application/pdf eJournal |
| Bahasa: | eng |
| Terbitan: |
Chemistry Department, The University of Brawijaya
, 2020
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| Subjects: | |
| Online Access: |
https://jpacr.ub.ac.id/index.php/jpacr/article/view/547 https://jpacr.ub.ac.id/index.php/jpacr/article/view/547/pdf |
Daftar Isi:
- 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.