NMR in drug discovery : A practical guide to identification and validation of ligands interacting with biological macromolecules
Copyright © 2016 Elsevier B.V. All rights reserved.
| Veröffentlicht in: | Progress in nuclear magnetic resonance spectroscopy. - 1998. - 97(2016) vom: 27. Nov., Seite 82-125 |
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| Format: | Online-Aufsatz |
| Sprache: | English |
| Veröffentlicht: |
2016
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| Zugriff auf das übergeordnete Werk: | Progress in nuclear magnetic resonance spectroscopy |
| Schlagworte: | Journal Article Research Support, Non-U.S. Gov't Review Drug discovery Fragment-based screening Protein-ligand Interactions Validation Ligands Proteins |
| Zusammenfassung: | Copyright © 2016 Elsevier B.V. All rights reserved. Protein-ligand interactions are at the heart of drug discovery research. NMR spectroscopy is an excellent technology to identify and validate protein-ligand interactions. A plethora of NMR methods are available which are powerful, robust and information-rich, but also have pitfalls and limitations. In this review, we will focus on how to choose between different experiments, and assess their strengths and liabilities. We introduce the concept of the validation cross, which helps to categorize experiments according to their information content and to simplify the choice of the right experiment in order to address a specific question. Additionally, we will provide the framework for drawing correct conclusions from experimental results in order to accurately evaluate such interactions. Out of scope for this review are methods for subsequent characterization of the interaction such as quantitative KD determination, binding mode analysis, or structure determination |
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| Beschreibung: | Date Completed 06.06.2017 Date Revised 06.06.2017 published: Print-Electronic Citation Status MEDLINE |
| ISSN: | 1873-3301 |
| DOI: | 10.1016/j.pnmrs.2016.09.001 |