Please use this identifier to cite or link to this item: http://hdl.handle.net/20.500.12779/5583
Title: A dynamic target-based pharmacophoric model mapping the CD4 binding site on HIV-1 gp120 to identify new inhibitors of gp120-CD4 protein-protein interactions
Authors: F., Caporuscio
Tafi, Andrea 
E., González
Manetti, Fabrizio 
J. A., Esté
Botta, Maurizio 
Keywords: Protein–protein interactions; gp120–CD4 interactions; Phe43 cavity; Structure-based drug design; Pharmacophore modeling
Issue Date: 2009
Project: None 
Journal: BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
Abstract: 
A dynamic target-based pharmacophoric model mapping the CD4 binding site on HIV-1 gp120 was built and used to identify new hits able to inhibit gp120–CD4 protein–protein interactions. Two compounds showed micromolar inhibition of HIV-1 replication in cells attributable to an interference with the entry step of infection, by direct interaction with gp120. Inactivity of compounds toward a M475I strain suggested specific contacts with the Phe43 cavity of gp120.
Description: 
35957
URI: http://hdl.handle.net/20.500.12779/5583
ISSN: 0960-894X
DOI: 10.1016/j.bmcl.2009.09.029
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