| Literature DB >> 17107793 |
M Katharine Holloway1, Georgia B McGaughey, Craig A Coburn, Shawn J Stachel, Kristen G Jones, Elizabeth L Stanton, Alison R Gregro, Ming-Tain Lai, Ming-Chih Crouthamel, Beth L Pietrak, Sanjeev K Munshi.
Abstract
Several simple scoring methods were examined for 2 series of beta-secretase (BACE-1) inhibitors to identify a docking/scoring protocol which could be used to design BACE-1 inhibitors in a drug discovery program. Both the PLP1 score and MMFFs interaction energy (E(inter)) performed as well or better than more computationally intensive methods for a set of substrate-based inhibitors, while the latter performed well for both sets of inhibitors.Entities:
Mesh：
Substances：
Year: 2006 PMID： 17107793 DOI： 10.1016/j.bmcl.2006.10.051
Source DB: PubMed Journal: Bioorg Med Chem Lett ISSN： 0960-894X Impact factor: 2.823