ArticleCombinatorial chemistry & high throughput screening2009
A multi-step NMR screen for the identification and evaluation of chemical leads for drug discovery.
Article in Combinatorial chemistry & high throughput screening, 2009. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 13 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
13 citing papers in PubMed, 22 citations in OpenAlex.
- Fragment-Based Approaches to Identify RNA Binders.Journal of medicinal chemistry · 2023Review
- Leveraging the Structure of DNAJA1 to Discover Novel Potential Pancreatic Cancer Therapies.Biomolecules · 2022Article
- Fragment-Based Drug Discovery by NMR. Where Are the Successes and Where can It Be Improved?Frontiers in molecular biosciences · 2022Article
- A simple and sensitive detection of the binding ligands by using the receptor aggregation and NMR spectroscopy: a test case of the maltose binding protein.Journal of biomolecular NMR · 2021Article
- NMR Metabolomics Protocols for Drug Discovery.Methods in molecular biology (Clifton, N.J.) · 2019Article
- Statistical removal of background signals from high-throughput (1)H NMR line-broadening ligand-affinity screens.Journal of biomolecular NMR · 2015Article
- The applicability of molecular descriptors for designing an electrospray ionization mass spectrometry compatible library for drug discovery.Combinatorial chemistry & high throughput screening · 2012Article
- Application of NMR and molecular docking in structure-based drug discovery.Topics in current chemistry · 2012Review
- Correlation between protein function and ligand binding profiles.Journal of proteome research · 2011Article
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- Advances in Nuclear Magnetic Resonance for Drug Discovery.Expert opinion on drug discovery · 2009Article
- NMR Metabolomics Analysis of Parkinson's Disease.Current MetabolomicsArticle
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
3 authors at 1 institution in 1 country.
Funding
Abstract
A multi-step NMR based screening assay is described for identifying and evaluating chemical leads for their ability to bind a target protein. The multi-step NMR assay provides structure-related information while being an integral part of a structure based drug discovery and design program. The fundamental principle of the multi-step NMR assay is to combine distinct 1D and 2D NMR techniques, in such a manner, that the inherent strengths and weakness associated with each technique is complementary to each other in the screen. By taking advantage of the combined strengths of 1D and 2D NMR experiments, it is possible to minimize protein requirements and experiment time and differentiate between non-specific and stoichiometric binders while being able to verify ligand binding, determine a semi-quantitative dissociation constant, identify the ligand binding site and rapidly determine a protein-ligand co-structure. Furthermore, the quality and physical behavior of the ligand is readily evaluated to determine its appropriateness as a chemical lead. The utility of the multi-step NMR assay is demonstrated with the use of PrgI from Salmonella typhimurium and human serum albumin (HSA) as target proteins.
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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.