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• W2068341018 startingPage "1119" @default.
• W2068341018 abstract "Abstract TAR RNA is a potential target for AIDS therapy. Ligand‐based virtual screening was performed to retrieve novel scaffolds for RNA‐binding molecules capable of inhibiting the Tat–TAR interaction, which is essential for HIV replication. We used a “fuzzy” pharmacophore approach (SQUID) and an alignment‐free pharmacophore method (CATS3D) to carry out virtual screening of a vendor database of small molecules and to perform “scaffold‐hopping”. A small subset of 19 candidate molecules were experimentally tested for TAR RNA binding in a fluorescence resonance energy transfer (FRET) assay. Both methods retrieved molecules that exhibited activities comparable to those of the reference molecules acetylpromazine and chlorpromazine, with the best molecule showing ten times better binding behavior (IC 50 =46 μ M ). The hits had molecular scaffolds different from those of the reference molecules." @default.
• W2068341018 created "2016-06-24" @default.
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• W2068341018 date "2005-05-30" @default.
• W2068341018 modified "2023-10-18" @default.
• W2068341018 title "New Inhibitors of the Tat-TAR RNA Interaction Found with a “Fuzzy” Pharmacophore Model" @default.
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• W2068341018 doi "https://doi.org/10.1002/cbic.200400376" @default.
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