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
Journal of Medicinal Chemistry2008Vol. 51(21), pp. 6635–6638
Citations Over TimeTop 24% of 2008 papers
Giovanni Maga, Federico Falchi, Anna Garbelli, Amalia Belfiore, Myriam Witvrouw, Fabrizio Manetti, Maurizio Botta
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.
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