Identification of a sub-micromolar, non-peptide inhibitor of β-secretase with low neural cytotoxicity through in silico screening

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2010
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Abstract
Nowadays identification of novel non-peptide β-secretase (BACE-1, hereinafter) inhibitors with low cytotoxicity and good blood–brain barrier (BBB) property holds common interest of drug discovery for Alzheimer’s disease. Twenty SPECS compounds were tested in BACE-1 FRET assays and methylthiazoletetrazolium (MTT) cytotoxicity experiment. Two compounds: 2 and 15 demonstrated IC50 values of 0.53 and 9.4 μM. In addition, 2 showed least toxic effect to the neuroblastoma cells. The results from both in silico and in vitro studies provided new pharmacophoric entities for chemical synthesis and optimization on the current discovered BACE-1 small molecule inhibitors.
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Authors Weijun Xu,Gang Chen,Weiliang Zhu,Zhili Zuo;Weijun Xu;Gang Chen;Weiliang Zhu;Zhili Zuo;
Journal Bioorganic & medicinal chemistry letters
Year 2010
DOI
10.1016/j.bmcl.2010.07.140
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