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...
| Main Author: | |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Universitas Sanata Dharma
2017-11-01
|
| Series: | Jurnal Farmasi Sains dan Komunitas |
| Subjects: | |
| Online Access: | http://e-journal.usd.ac.id/index.php/JFSK/article/view/698 |
| _version_ | 1818115006005248000 |
|---|---|
| author | Enade Perdana Istyastono |
| author_facet | Enade Perdana Istyastono |
| author_sort | Enade Perdana Istyastono |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-12-11T03:59:45Z |
| format | Article |
| id | doaj.art-3834fa3e5bb345ed88609e918c7dc7cd |
| institution | Directory Open Access Journal |
| issn | 1693-5683 2527-7146 |
| language | English |
| last_indexed | 2024-12-11T03:59:45Z |
| publishDate | 2017-11-01 |
| publisher | Universitas Sanata Dharma |
| record_format | Article |
| series | Jurnal Farmasi Sains dan Komunitas |
| spelling | doaj.art-3834fa3e5bb345ed88609e918c7dc7cd2022-12-22T01:21:40ZengUniversitas Sanata DharmaJurnal Farmasi Sains dan Komunitas1693-56832527-71462017-11-01142747810.24071/jpsc.142698672VIRTUAL SCREENING CAMPAIGNS ON ISOFLAVONES TO DISCOVER POTENT CYCLOOXYGENASE-2 INHIBITORSEnade Perdana Istyastono0Faculty of Pharmacy, Sanata Dharma University, YogyakartaBy 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.http://e-journal.usd.ac.id/index.php/JFSK/article/view/698virtual screeningisoflavoneZINC15 databasecyclooxygenase-2 |
| spellingShingle | Enade Perdana Istyastono VIRTUAL SCREENING CAMPAIGNS ON ISOFLAVONES TO DISCOVER POTENT CYCLOOXYGENASE-2 INHIBITORS Jurnal Farmasi Sains dan Komunitas virtual screening isoflavone ZINC15 database cyclooxygenase-2 |
| title | VIRTUAL SCREENING CAMPAIGNS ON ISOFLAVONES TO DISCOVER POTENT CYCLOOXYGENASE-2 INHIBITORS |
| title_full | VIRTUAL SCREENING CAMPAIGNS ON ISOFLAVONES TO DISCOVER POTENT CYCLOOXYGENASE-2 INHIBITORS |
| title_fullStr | VIRTUAL SCREENING CAMPAIGNS ON ISOFLAVONES TO DISCOVER POTENT CYCLOOXYGENASE-2 INHIBITORS |
| title_full_unstemmed | VIRTUAL SCREENING CAMPAIGNS ON ISOFLAVONES TO DISCOVER POTENT CYCLOOXYGENASE-2 INHIBITORS |
| title_short | VIRTUAL SCREENING CAMPAIGNS ON ISOFLAVONES TO DISCOVER POTENT CYCLOOXYGENASE-2 INHIBITORS |
| title_sort | virtual screening campaigns on isoflavones to discover potent cyclooxygenase 2 inhibitors |
| topic | virtual screening isoflavone ZINC15 database cyclooxygenase-2 |
| url | http://e-journal.usd.ac.id/index.php/JFSK/article/view/698 |
| work_keys_str_mv | AT enadeperdanaistyastono virtualscreeningcampaignsonisoflavonestodiscoverpotentcyclooxygenase2inhibitors |