VIRTUAL SCREENING CAMPAIGNS ON ISOFLAVONES TO DISCOVER POTENT CYCLOOXYGENASE-2 INHIBITORS
By employing recently published structure-based virtual screening (SBVS) to identify potent cyclooxygenase-2 (COX-2) inhibitors, all isoflavones collected by ZINC15 database were virtually screened. There were 3371 isoflavones in ZINC15 database and 1356 compounds out of them met the Lipinski’s rule...
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| Format: | Article |
| Language: | English |
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Universitas Sanata Dharma
2017-11-01
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| Series: | Jurnal Farmasi Sains dan Komunitas |
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| Online Access: | http://e-journal.usd.ac.id/index.php/JFSK/article/view/698 |
| Summary: | By employing recently published structure-based virtual screening (SBVS) to identify potent cyclooxygenase-2 (COX-2) inhibitors, all isoflavones collected by ZINC15 database were virtually screened. There were 3371 isoflavones in ZINC15 database and 1356 compounds out of them met the Lipinski’s rule of 5. Notably, only 3 isoflavones out of those 1356 compounds were identified as potent COX-2 inhibitors. |
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| ISSN: | 1693-5683 2527-7146 |