Please use this identifier to cite or link to this item: https://hdl.handle.net/10356/82167
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dc.contributor.authorLiu, Li-Juanen
dc.contributor.authorLeung, Ka-Hoen
dc.contributor.authorLin, Shengen
dc.contributor.authorChan, Daniel Shiu-Hinen
dc.contributor.authorSusanti, Dewien
dc.contributor.authorRao, Weidongen
dc.contributor.authorChan, Philip Wai Hongen
dc.contributor.authorMa, Dik-Lungen
dc.contributor.authorLeung, Chung-Hangen
dc.date.accessioned2016-08-17T06:45:11Zen
dc.date.accessioned2019-12-06T14:47:54Z-
dc.date.available2016-08-17T06:45:11Zen
dc.date.available2019-12-06T14:47:54Z-
dc.date.issued2014en
dc.identifier.citationLiu, L.-J., Leung, K.-H., Lin, S., Chan, D. S.-H., Susanti, D., Rao, W., et al. (2014). Pharmacophore modeling for the identification of small-molecule inhibitors of TACE. Methods, 71, 92-97.en
dc.identifier.issn1046-2023en
dc.identifier.urihttps://hdl.handle.net/10356/82167-
dc.description.abstractTumor necrosis factor α-converting enzyme (TACE) plays a critical role in diverse physiological processes such as inflammation, hematopoiesis, and development. In this study, a pharmacophore model constructed from a training set of TACE inhibitors was used to screen an in-house database of organic compounds, from which compound 1 emerged as a top candidate. In a cell-free assay, compound 1 inhibited TACE enzymatic activity in a dose-dependent manner. Moreover, compound 1 inhibited the production of soluble TNF-α in human acute monocytic leukemia THP-1 cells without impacting nitric oxide production, and exhibited anti-proliferative activity against THP-1 cells. We envisage that compound 1 may be employed as a useful scaffold for the development of more potent TACE inhibitors. This study also validates the use of pharmacophore modeling to identify enzyme inhibitors.en
dc.description.sponsorshipASTAR (Agency for Sci., Tech. and Research, S’pore)en
dc.language.isoenen
dc.relation.ispartofseriesMethodsen
dc.rights© 2014 Elsevier Inc.en
dc.subjectPharmacophoreen
dc.subjectTACEen
dc.titlePharmacophore modeling for the identification of small-molecule inhibitors of TACEen
dc.typeJournal Articleen
dc.contributor.schoolSchool of Physical and Mathematical Sciencesen
dc.identifier.doi10.1016/j.ymeth.2014.09.005en
item.grantfulltextnone-
item.fulltextNo Fulltext-
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