VIRTUAL SCREENING CAMPAIGNS ON ISOFLAVONES TO DISCOVER POTENT CYCLOOXYGENASE-2 INHIBITORS
Abstract: 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.
Keywords: virtual screening;
isoflavone; ZINC15 database; cyclooxygenase-2
Penulis: Enade Perdana
Istyastono
Kode Jurnal: jpfarmasidd170457
