Please use this identifier to cite or link to this item: http://hdl.handle.net/20.500.12779/5467
Title: Pharmacophore modeling and molecular docking led to the discovery of inhibitors of human immunodeficiency virus-1 replication targeting the human cellular aspartic acid-glutamic acid-alanine-aspartic acid box polypeptide 3.
Authors: Maga, G
Falchi, F
Garbelli, A
Belfiore, A
Witvrouw, M
Manetti, Fabrizio 
Botta, Maurizio 
Issue Date: 2008
Project: None 
Journal: JOURNAL OF MEDICINAL CHEMISTRY
Abstract: 
HIV-1 replication has been inhibited by using a compound able to target the human cellular cofactor DEAD-box ATPase DDX3, essential for HIV-1 RNA nuclear export. This compound, identified by means of a computational protocol based on pharmacophoric modeling and molecular docking calculations, represents the first small molecule with such a mechanism of action and could lay the foundations for a pioneering approach for the treatment of HIV-1 infections.
Description: 
36500
URI: http://hdl.handle.net/20.500.12779/5467
ISSN: 0022-2623
DOI: 10.1021/jm8008844
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