Discovery of novel non-peptide inhibitors of BACE-1 using virtual high-throughput screening

N. Yi Mok, James Chadwick, Katherine A B Kellett, Nigel M. Hooper, A. Peter Johnson, Colin W G Fishwick

    Research output: Contribution to journalArticlepeer-review

    Abstract

    A novel series of isatin-based inhibitors of β-secretase (BACE-1) have been identified using a virtual high-throughput screening approach. Structure-activity relationship studies revealed structural features important for inhibition. Docking studies suggest these inhibitors may bind within the BACE-1 active site through H-bonding interactions involving the catalytic aspartate residues. © 2009 Elsevier Ltd. All rights reserved.
    Original languageEnglish
    Pages (from-to)6770-6774
    Number of pages4
    JournalBioorganic and Medicinal Chemistry Letters
    Volume19
    Issue number23
    DOIs
    Publication statusPublished - 1 Dec 2009

    Keywords

    • β-Secretase
    • Alzheimer's disease
    • BACE-1
    • eHiTS
    • Virtual high-throughput screening

    Research Beacons, Institutes and Platforms

    • Dementia@Manchester

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