VIRTUAL SCREENING CAMPAIGNS ON ISOFLAVONES TO DISCOVER POTENT CYCLOOXYGENASE-2 INHIBITORS
| Main Author: | Istyastono, Enade Perdana |
|---|---|
| Format: | Article info application/pdf |
| Bahasa: | eng |
| Terbitan: |
Sanata Dharma University
, 2017
|
| Subjects: | |
| Online Access: |
http://e-journal.usd.ac.id/index.php/JFSK/article/view/698 http://e-journal.usd.ac.id/index.php/JFSK/article/view/698/pdf |
Daftar Isi:
- 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.