In a previous work we reported results about the coordination ability of the diketo acid pharmacophore, and discussed on the anti-HIV-1 IN activity of a series of synthesized β-diketo acid metal complexes. Herein, a further extension of this study is reported. In particular, a new set of complexes with different stoichiometry was synthesized, and a series of potentiometric measurements were conducted for two diketo acids as model ligands in the presence of other divalent metal ions in order to outline a speciation model. The first X-ray solved structure of a diketo acid metal complex is presented. Moreover, we tested the obtained complexes for anti-HIV 1 IN activity. Furthermore, detailed docking studies were conducted in order to investigate the mode of binding of the free ligands compared with their metal complexes on the active site.

From ligand to complexes: Part 2: Remarks on human immunodeficiency virus type 1 integrase inhibition by beta-diketo acid metal complexes / Sechi, Mario; Carcelli, Vincenzo; Fisicaro, Emilia; Compari, Carlotta; Carta, Fabrizio; Sotriffer, Christoph; Al-Mawsawi, Laith Q.; Neamati, Nouri; Rigolino, Dominga; Biemmi, Mario; Sippel, Martin. - (2008). (Intervento presentato al convegno SardiniaChem 2008: giornata di studio dedicata alla chimica organica delle molecole biologicamente attive).

From ligand to complexes: Part 2: Remarks on human immunodeficiency virus type 1 integrase inhibition by beta-diketo acid metal complexes

Sechi, Mario;
2008-01-01

Abstract

In a previous work we reported results about the coordination ability of the diketo acid pharmacophore, and discussed on the anti-HIV-1 IN activity of a series of synthesized β-diketo acid metal complexes. Herein, a further extension of this study is reported. In particular, a new set of complexes with different stoichiometry was synthesized, and a series of potentiometric measurements were conducted for two diketo acids as model ligands in the presence of other divalent metal ions in order to outline a speciation model. The first X-ray solved structure of a diketo acid metal complex is presented. Moreover, we tested the obtained complexes for anti-HIV 1 IN activity. Furthermore, detailed docking studies were conducted in order to investigate the mode of binding of the free ligands compared with their metal complexes on the active site.
2008
From ligand to complexes: Part 2: Remarks on human immunodeficiency virus type 1 integrase inhibition by beta-diketo acid metal complexes / Sechi, Mario; Carcelli, Vincenzo; Fisicaro, Emilia; Compari, Carlotta; Carta, Fabrizio; Sotriffer, Christoph; Al-Mawsawi, Laith Q.; Neamati, Nouri; Rigolino, Dominga; Biemmi, Mario; Sippel, Martin. - (2008). (Intervento presentato al convegno SardiniaChem 2008: giornata di studio dedicata alla chimica organica delle molecole biologicamente attive).
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11388/262008
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