These authors equally contributed.
Sequential Virtual Screening Approach to the Identification of Small Organic Molecules as Potential BACE-1 Inhibitors
Article first published online: 2 FEB 2011
© 2011 John Wiley & Sons A/S
Chemical Biology & Drug Design
Volume 77, Issue 4, pages 268–271, April 2011
How to Cite
Chiriano, G., Sartini, A., Mancini, F., Andrisano, V., Bolognesi, M. L., Roberti, M., Recanatini, M., Carloni, P. and Cavalli, A. (2011), Sequential Virtual Screening Approach to the Identification of Small Organic Molecules as Potential BACE-1 Inhibitors. Chemical Biology & Drug Design, 77: 268–271. doi: 10.1111/j.1747-0285.2011.01087.x
- Issue published online: 11 MAR 2011
- Article first published online: 2 FEB 2011
- Accepted manuscript online: 18 JAN 2011 02:05PM EST
- Received 1 April 2010, revised 22 December 2010 and accepted for publication 31 December 2010
- drug discovery;
- molecular modeling;
- virtual screening
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.