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

作者：Mok N Yi; Chadwick James; Kellett Katherine A B; Hooper Nigel M^*; Johnson A Peter; Fishwick Colin W G

来源：Bioorganic & Medicinal Chemistry Letters, 2009, 19(23): 6770-6774.

DOI：10.1016/j.bmcl.2009.09.103

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

A novel series of isatin-based inhibitors of beta-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.

• 出版日期2009-12-1