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rdf:type |
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|
lifeskim:mentions |
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pubmed:issue |
22
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pubmed:dateCreated |
2004-10-14
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pubmed:abstractText |
The interactions with divalent cations of 4-phenyl-4-oxo-2-hydroxybuten-2-oic acid (benzoylpyruvic acid (BPA)), the pharmacophore of HIV-1 integrase inhibitors, were investigated using spectroscopic tools. In the absence of the enzyme, a 2:2 metal-ligand complex was characterized with an intermetallic distance of 4-6 A. Molecular modeling allowed us to propose a compatible structure for the metal-ligand complex. BPA does not inhibit the reactions catalyzed by HIV-1 IN, emphasizing the importance of the aromatic ring substitution in the antiviral activity.
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pubmed:language |
eng
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pubmed:journal |
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pubmed:citationSubset |
IM
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pubmed:chemical |
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pubmed:status |
MEDLINE
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pubmed:month |
Oct
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pubmed:issn |
0022-2623
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pubmed:author |
|
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pubmed:issnType |
Print
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pubmed:day |
21
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pubmed:volume |
47
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pubmed:owner |
NLM
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|
pubmed:authorsComplete |
Y
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pubmed:pagination |
5583-6
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pubmed:dateRevised |
2006-11-15
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pubmed:meshHeading |
pubmed-meshheading:15481994-Cations, Divalent,
pubmed-meshheading:15481994-Electron Spin Resonance Spectroscopy,
pubmed-meshheading:15481994-HIV Integrase,
pubmed-meshheading:15481994-Ligands,
pubmed-meshheading:15481994-Magnesium,
pubmed-meshheading:15481994-Manganese,
pubmed-meshheading:15481994-Mass Spectrometry,
pubmed-meshheading:15481994-Models, Molecular,
pubmed-meshheading:15481994-Molecular Structure,
pubmed-meshheading:15481994-Pyruvic Acid
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pubmed:year |
2004
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|
pubmed:articleTitle |
Spectroscopic studies of diketoacids-metal interactions. A probing tool for the pharmacophoric intermetallic distance in the HIV-1 integrase active site.
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pubmed:affiliation |
Laboratoire de Chimie Organique et Macromoléculaire, UMR CNRS 8009, Université des Sciences et Technologies de Lille, 59655 Villeneuve d'Ascq, France.
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pubmed:publicationType |
Journal Article,
Research Support, Non-U.S. Gov't
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