Show simple item record

dc.contributor.authorXu, W.
dc.contributor.authorChen, G.
dc.contributor.authorZhu, W.
dc.contributor.authorZuo, Zhili
dc.date.accessioned2017-01-30T15:37:48Z
dc.date.available2017-01-30T15:37:48Z
dc.date.created2011-03-16T20:01:51Z
dc.date.issued2010
dc.identifier.citationXu, Weijun and Chen, Gang and Zhu, Weiliang and Zuo, Zhili. 2010. Molecular docking and structure-activity relationship studies on benzothiazole based non-peptidic BACE-1 inhibitors. Bioorganic & Medicinal Chemistry Letters. 20 (21): pp. 6203-6207.
dc.identifier.urihttp://hdl.handle.net/20.500.11937/48140
dc.identifier.doi10.1016/j.bmcl.2010.08.111
dc.description.abstract

A similarity search on the structural analogs of an inhibitor of BACE-1 with IC50 2.8 μM, which contained a P1 benzothiazole group together with a triazine ring linked by a secondary amine group, was described in this Letter and some more potent inhibitors against BACE-1 were identified. The most potent compound 5 (IC50 = 0.12 μM) increases the inhibitory potency by 24 folds. Our results suggest that a pyrrolidinyl side group at the P3′ and P4′ of the inhibitors are favored for strong inhibition and a small aromatic group at the P4 position is also essential to the potency.

dc.publisherPergamon
dc.subjectFRET
dc.subjectVirtual screening
dc.subjectBioassay
dc.subjectBACE-1
dc.titleMolecular docking and structure-activity relationship studies on benzothiazole based non-peptidic BACE-1 inhibitors
dc.typeJournal Article
dcterms.source.volume20
dcterms.source.number21
dcterms.source.startPage6203
dcterms.source.endPage6207
dcterms.source.issn0960-894X
dcterms.source.titleBioorganic & Medicinal Chemistry Letters
curtin.note

NOTICE: This is the author’s version of a work that was accepted for publication in Bioorganic & Medicinal Chemistry Letters. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes mayhave been made to this work since it was submitted for publication. A definitive version was subsequently published in Bioorganic & Medicinal Chemistry Letters [20, 21, 2010] DOI 10.1016/j.bmcl.2010.08.111

curtin.departmentSchool of Biomedical Sciences
curtin.accessStatusOpen access


Files in this item

Thumbnail

This item appears in the following Collection(s)

Show simple item record