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Título: | Binding-driven reactivity attenuation enables NMR identification of selective drug candidates for nucleic acid targets |
Autor: | Díaz-Casado, Laura CSIC ORCID; Santana, Andrés G. CSIC ORCID ; Gomez-Pinto, Irene CSIC ORCID; Villacampa, Alejandro CSIC ORCID; Corzana, Francisco; Jiménez-Barbero, Jesús CSIC ORCID; González, Carlos CSIC ; Asensio, Juan Luis CSIC ORCID | Fecha de publicación: | 27-oct-2022 | Editor: | Nature Publishing Group | Citación: | Communications Chemistry 5: 137 (2022) | Resumen: | NMR methods, and in particular ligand-based approaches, are among the most robust and reliable alternatives for binding detection and consequently, they have become highly popular in the context of hit identification and drug discovery. However, when dealing with DNA/RNA targets, these techniques face limitations that have precluded widespread application in medicinal chemistry. In order to expand the arsenal of spectroscopic tools for binding detection and to overcome the existing difficulties, herein we explore the scope and limitations of a strategy that makes use of a binding indicator previously unexploited by NMR: the perturbation of the ligand reactivity caused by complex formation. The obtained results indicate that ligand reactivity can be utilised to reveal association processes and identify the best binders within mixtures of significant complexity, providing a conceptually different reactivity-based alternative within NMR screening methods. | Descripción: | 10 pags., 8 figs. | Versión del editor: | https://doi.org/10.1038/s42004-022-00755-8 | URI: | http://hdl.handle.net/10261/288931 | DOI: | 10.1038/s42004-022-00755-8 | E-ISSN: | 2399-3669 |
Aparece en las colecciones: | (IQF) Artículos (IQOG) Artículos |
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Fichero | Descripción | Tamaño | Formato | |
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Binding-driven reactivity.pdf | Artículo principal | 2,64 MB | Adobe PDF | Visualizar/Abrir |
Supporting Information.pdf | Supporting information | 3,33 MB | Adobe PDF | Visualizar/Abrir |
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