Source:http://linkedlifedata.com/resource/pubmed/id/19775780
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rdf:type | |
lifeskim:mentions | |
pubmed:issue |
12
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pubmed:dateCreated |
2009-11-25
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pubmed:abstractText |
In this preliminary study we report the antiviral screening of triazolo[4,5-g]quinoline derivatives (compounds 1-6). 4,9-Dihydrotriazolo[4,5-g]quinoline-1-oxide (1) stood out as a new, small molecule endowed with a selective, promising activity in cell-based assays against HIV-1wt and clinically relevant NNRTI resistant mutants. In order to identify the molecular target, compound 1 was assayed in enzyme assay against the HIV-1wt RT. The molecular modeling strategy adopted yielded a rationale, in terms of molecular interactions and free energy of binding, for the possible reasons of the activity of this compound against NNRTI-resistant HIV-1 mutants with the RT isoforms K103N and Y181C.
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pubmed:language |
eng
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pubmed:journal | |
pubmed:citationSubset |
IM
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pubmed:chemical | |
pubmed:status |
MEDLINE
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pubmed:month |
Dec
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pubmed:issn |
1768-3254
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pubmed:author | |
pubmed:issnType |
Electronic
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pubmed:volume |
44
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pubmed:owner |
NLM
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pubmed:authorsComplete |
Y
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pubmed:pagination |
5117-22
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pubmed:meshHeading |
pubmed-meshheading:19775780-Anti-HIV Agents,
pubmed-meshheading:19775780-Cyclic N-Oxides,
pubmed-meshheading:19775780-Dose-Response Relationship, Drug,
pubmed-meshheading:19775780-Drug Resistance, Viral,
pubmed-meshheading:19775780-HIV-1,
pubmed-meshheading:19775780-Humans,
pubmed-meshheading:19775780-Inhibitory Concentration 50,
pubmed-meshheading:19775780-Models, Molecular,
pubmed-meshheading:19775780-Molecular Structure,
pubmed-meshheading:19775780-Mutation,
pubmed-meshheading:19775780-Quinolines,
pubmed-meshheading:19775780-Reverse Transcriptase Inhibitors,
pubmed-meshheading:19775780-Thermodynamics
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pubmed:year |
2009
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pubmed:articleTitle |
Activity and molecular modeling of a new small molecule active against NNRTI-resistant HIV-1 mutants.
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pubmed:affiliation |
Dipartimento Farmaco Chimico Tossicologico, Università di Sassari, Via Muroni 23/a, 07100 Sassari, Italy. acarta@uniss.it
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pubmed:publicationType |
Journal Article
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