背景(考古学)
组合化学
反应性(心理学)
核酸
鉴定(生物学)
配体(生物化学)
计算生物学
化学
药物发现
范围(计算机科学)
计算机科学
生化工程
生物化学
生物
医学
工程类
古生物学
植物
替代医学
受体
病理
程序设计语言
作者
Laura Díaz‐Casado,Andrés G. Santana,Irene Gómez‐Pinto,Alejandro Villacampa,Francisco Corzana,Jesús Jiménez‐Barbero,Carlos González,Juan Luis Asensio
标识
DOI:10.1038/s42004-022-00755-8
摘要
Abstract 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.
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