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In this study, we performed a high-throughput screening of a compound library composed of ∼6000 small molecules in search of potential picornavirus 3C protease (3Cpro) inhibitors.
We used Q-MOL molecular modeling package to perform a virtual screening of a compound library for RXRα ligands, and found that NSC-640358 ((NZ -N-[1-[2- 3,5-diphenylpyrazol-1-yl -4-methyl-1,3-thiazol-5-yl]ethylidene]droxylamine, NZ -N-[1-[2- 3,5-diphenylpyrazol-1-yl -4-methyl-1,3-thiazol-5-yl]ethylidene]droxylamine
An important future study made possible by this work is the screening of a compound library for drugs that could be used to treat RP.
Quinazolinediones and pyrrolopyrimidinediones, selected by screening of a compound library, inhibit NFATc-dependent reporter gene transcription in Jurkat cells [ 150].
High throughput screening of a compound library against this enzyme and bovine cathepsin B (BtCatB) identified four novel inhibitor classes broadly classified into 3 groups depending on the warhead-types, namely thiosemicarbazones (118, 119), nitriles (120), and semicarbazones (121).
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Therefore, virtual screening of a compounds library yielded a ligand capable to bind to the NS5MTase active site in presence of AdoMet.
YM155 (sepantronium bromide) was selected in a screen of a compound library as an inhibitor of a survivin promoter-reporter gene construct [ 46].
As after a virtual screen of a compound library, only a small percentage (typically 0.1−1.0%) of compounds predicted to be maximally active will enter biological tests (only this fraction of the ROC curve will be actually used in the virtual screen).
Herein we report the screening of a 62000 compound library against T. brucei TryR.
The three most potent compounds were found in a screen of a ChemBridge compound library that we previously deposited in PubChem BioAssay (assay identification no. AID 687043).
This unique fluorescent probe was successfully applied to the screening of a kinase focused compound library.
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screening of a chemical
scrutiny of a compound
screening of a synthetic
presentation of a compound
verification of a compound
discovery of a compound
screening of a pregnant
screening of a novel
screening of a kinase
screening of a library
screening of a documentary
screening of a film
screening of a ligand
screening of a dozen
screening of a subset
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