ArticleJournal of biomolecular NMR2005
Determining the optimal size of small molecule mixtures for high throughput NMR screening.
Article in Journal of biomolecular NMR, 2005. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 11 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
11 citing papers in PubMed.
- Fragment-Based Drug Discovery by NMR. Where Are the Successes and Where can It Be Improved?Frontiers in molecular biosciences · 2022Article
- NMRmix: A Tool for the Optimization of Compound Mixtures in 1D (1)H NMR Ligand Affinity Screens.Journal of proteome research · 2016Article
- Drug screening strategy for human membrane proteins: from NMR protein backbone structure to in silica- and NMR-screened hits.Biochemical and biophysical research communications · 2014Article
- Structure and function of human DnaJ homologue subfamily a member 1 (DNAJA1) and its relationship to pancreatic cancer.Biochemistry · 2014Article
- Application of NMR and molecular docking in structure-based drug discovery.Topics in current chemistry · 2012Review
- A multi-step NMR screen for the identification and evaluation of chemical leads for drug discovery.Combinatorial chemistry & high throughput screening · 2009Article
- High-field solution NMR spectroscopy as a tool for assessing protein interactions with small molecule ligands.Journal of pharmaceutical sciences · 2008Review
- poolHiTS: a shifted transversal design based pooling strategy for high-throughput drug screening.BMC bioinformatics · 2008Article
- The application of FAST-NMR for the identification of novel drug discovery targets.Drug discovery today · 2008Review
- Multiplexing siRNAs to compress RNAi-based screen size in human cells.Nucleic acids research · 2007Article
- FAST-NMR: functional annotation screening technology using NMR spectroscopy.Journal of the American Chemical Society · 2006Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
2 authors.
Funding
Abstract
High-throughput screening (HTS) using NMR spectroscopy has become a common component of the drug discovery effort and is widely used throughout the pharmaceutical industry. NMR provides additional information about the nature of small molecule-protein interactions compared to traditional HTS methods. In order to achieve comparable efficiency, small molecules are often screened as mixtures in NMR-based assays. Nevertheless, an analysis of the efficiency of mixtures and a corresponding determination of the optimum mixture size (OMS) that minimizes the amount of material and instrumentation time required for an NMR screen has been lacking. A model for calculating OMS based on the application of the hypergeometric distribution function to determine the probability of a "hit" for various mixture sizes and hit rates is presented. An alternative method for the deconvolution of large screening mixtures is also discussed. These methods have been applied in a high-throughput NMR screening assay using a small, directed library.
Indexed as
Identifiers
15803397What OpenQuestion holds
Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.