%0 Journal Article
%A Chiriano, Gianpaolo
%A Sartini, Andrea
%A Mancini, Francesca
%A Andrisano, Vincenza
%A Bolognesi, Maria L.
%A Roberti, Marinella
%A Recanatini, Maurizio
%A Carloni, Paolo
%A Cavalli, Andrea
%T Sequential Virtual Screening Approach to the Identification of Small Organic Molecules as Potential BACE-1 Inhibitors
%J Chemical biology and drug design
%V 77
%N 4
%@ 1747-0277
%C Oxford
%I Wiley-Blackwell
%M FZJ-2015-03591
%P 268 - 271
%D 2011
%X In this letter, we report on the sequential application of two different in silico screening approaches combined with bioassays aimed at the identification of small organic molecules as potential BACE-1 inhibitors. Two hits endowed of micromolar inhibitory potency were selected, and the binding mode of the most potent compound was further characterized through docking simulations.
%F PUB:(DE-HGF)16
%9 Journal Article
%U <Go to ISI:>//WOS:000288265200005
%$ pmid:21244641
%R 10.1111/j.1747-0285.2011.01087.x
%U https://juser.fz-juelich.de/record/201286