VIRTUAL SCREENING CAMPAIGNS ON ISOFLAVONES TO DISCOVER POTENT CYCLOOXYGENASE-2 INHIBITORS

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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Main Author: Enade Perdana Istyastono
Format: Article
Language:English
Published: Universitas Sanata Dharma 2017-11-01
Series:Jurnal Farmasi Sains dan Komunitas
Subjects:
virtual screening
isoflavone
ZINC15 database
cyclooxygenase-2
Online Access:http://e-journal.usd.ac.id/index.php/JFSK/article/view/698
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spelling doaj-3834fa3e5bb345ed88609e918c7dc7cd2020-11-24T21:02:03ZengUniversitas 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
collection DOAJ
language English
format Article
sources DOAJ
author Enade Perdana Istyastono
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
author_facet Enade Perdana Istyastono
author_sort Enade Perdana Istyastono
title 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_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_sort virtual screening campaigns on isoflavones to discover potent cyclooxygenase-2 inhibitors
publisher Universitas Sanata Dharma
series Jurnal Farmasi Sains dan Komunitas
issn 1693-5683
2527-7146
publishDate 2017-11-01
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.
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
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