Title : Virtual screening and structure-based discovery of indole acylguanidines as potent β-secretase (BACE1) inhibitors.

Pub. Date : 2013 May 16

PMID : 23681056






1 Functional Relationships(s)
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1 With the aid of co-crystal structures of two discovered inhibitors (compounds 19 and 25) with BACE1, we explored the SAR around the indole and aryl groups, and obtained several BACE1 inhibitors about 1,000-fold more potent than the initial fragment hit. indole sarcosine dehydrogenase Homo sapiens