NMR Methods for Identification of False Positives in Biochemical Screens
Over the past few decades, NMR spectroscopy has become an established tool in drug discovery. This communication will highlight the potential of NMR spectroscopy as a method for identification of problematic compounds and as a valuable aid toward revealing some mechanisms of promiscuous behavior. NM...
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| Veröffentlicht in: | Journal of medicinal chemistry 2017-12, Vol.60 (23), p.9437-9447 |
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| container_end_page | 9447 |
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| container_title | Journal of medicinal chemistry |
| container_volume | 60 |
| creator | Zega, Anamarija |
| description | Over the past few decades, NMR spectroscopy has become an established tool in drug discovery. This communication will highlight the potential of NMR spectroscopy as a method for identification of problematic compounds and as a valuable aid toward revealing some mechanisms of promiscuous behavior. NMR methods for detecting false positives will be analyzed on the basis of their performance, strengths, limitations, and potential pitfalls. Additionally, this communication aims to provide an insight into the limitations of NMR-based methodologies applied to ligand screening in the context of false-positive hits. |
| doi_str_mv | 10.1021/acs.jmedchem.6b01520 |
| format | Article |
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| fulltext | fulltext |
| identifier | EISSN: 1520-4804 |
| ispartof | Journal of medicinal chemistry, 2017-12, Vol.60 (23), p.9437-9447 |
| issn | 1520-4804 |
| language | eng |
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| source | ACS Publications; MEDLINE |
| subjects | Animals Autoantigens - metabolism Drug Evaluation, Preclinical - methods Glycogen Phosphorylase - metabolism Humans Ligands Magnetic Resonance Spectroscopy - methods Models, Molecular Protein Binding Ribonucleoproteins - metabolism SS-B Antigen |
| title | NMR Methods for Identification of False Positives in Biochemical Screens |
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