Source:http://linkedlifedata.com/resource/pubmed/id/19691339
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Predicate | Object |
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rdf:type | |
lifeskim:mentions | |
pubmed:issue |
17
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pubmed:dateCreated |
2009-9-3
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pubmed:abstractText |
We have screened the NCI diversity set library for molecules that bind specifically to stem loop 3 (SL3) RNA of the packaging element Psi of HIV-1 using the docking programs DOCK and AutoDock, followed by MD simulations. The association of the predicted ligands with SL3 RNA was characterized using fluorescence, ITC, UV-melting, CD, and footprinting techniques. Nine ligands for SL3 RNA have been identified, four of which bind with higher affinity to SL3 RNA than to either single- or double-stranded RNA motifs. The most selective ligands, 9 (NSC252359) and 5 (NSC123111), bind SL3 RNA with dissociation constants of 11 microM and 98 microM, respectively. Compound 9 binds with 4-7-fold higher affinity to SL3 RNA than to the other tetraloops found in Psi-RNA, SL2 and SL4 RNAs. The results suggest that both 9 and 5 bind to the stem region of SL3 RNA without large distortions of the SL3 RNA.
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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 |
Sep
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pubmed:issn |
1520-4804
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pubmed:author | |
pubmed:issnType |
Electronic
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pubmed:day |
10
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pubmed:volume |
52
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pubmed:owner |
NLM
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pubmed:authorsComplete |
Y
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pubmed:pagination |
5462-73
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pubmed:meshHeading |
pubmed-meshheading:19691339-Acridines,
pubmed-meshheading:19691339-Base Sequence,
pubmed-meshheading:19691339-Binding Sites,
pubmed-meshheading:19691339-Calorimetry,
pubmed-meshheading:19691339-Drug Evaluation, Preclinical,
pubmed-meshheading:19691339-HIV-1,
pubmed-meshheading:19691339-Inverted Repeat Sequences,
pubmed-meshheading:19691339-Ligands,
pubmed-meshheading:19691339-Models, Molecular,
pubmed-meshheading:19691339-Molecular Conformation,
pubmed-meshheading:19691339-RNA, Viral,
pubmed-meshheading:19691339-RNA Stability,
pubmed-meshheading:19691339-Small Molecule Libraries,
pubmed-meshheading:19691339-Substrate Specificity,
pubmed-meshheading:19691339-Titrimetry,
pubmed-meshheading:19691339-Virus Assembly
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pubmed:year |
2009
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pubmed:articleTitle |
Identification of specific small molecule ligands for stem loop 3 ribonucleic acid of the packaging signal Psi of human immunodeficiency virus-1.
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pubmed:affiliation |
Department of Chemistry, University of Illinois, Urbana, Illinois 61801, USA.
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pubmed:publicationType |
Journal Article,
Research Support, Non-U.S. Gov't
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