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Your search keyword '"Xu, Weijun"' showing total 1 results
Start Over Author "Xu, Weijun" Topic drug use testing Journal bioorganic & medicinal chemistry letters

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1 results on '"Xu, Weijun"'

1. Molecular docking and structure–activity relationship studies on benzothiazole based non-peptidic BACE-1 inhibitors

Author

Xu, Weijun, Chen, Gang, Zhu, Weiliang, and Zuo, Zhili

Subjects
*MOLECULAR models, *STRUCTURE-activity relationship in pharmacology, *THIAZOLES, *ENZYME inhibitors, *BIOLOGICAL assay, *DRUG use testing, *DRUG synergism, *THERAPEUTICS
Abstract

Abstract: A similarity search on the structural analogs of an inhibitor of BACE-1 with IC50 2.8μM, 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 =0.12μM) 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. [ABSTRACT FROM AUTHOR]

Published
2010
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