NMR Methods for Identification of False Positives in Biochemical Screens,Journal of Medicinal Chemistry

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NMR Methods for Identification of False Positives in Biochemical Screens
Journal of Medicinal Chemistry ( IF 6.8 ) Pub Date : 2017-07-12 00:00:00 , DOI: 10.1021/acs.jmedchem.6b01520
Anamarija Zega ₁

Affiliation

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.

中文翻译：

核磁共振方法在生化筛查中鉴别假阳性

在过去的几十年中，NMR光谱学已成为药物发现中的既定工具。这种交流将突出显示NMR光谱法作为鉴定有问题的化合物的方法的潜力，并有助于揭示一些混杂行为的机制。NMR用于检测假阳性的方法将根据其性能，强度，局限性和潜在缺陷进行分析。此外，本交流旨在提供对假阳性结果背景下应用于配体筛选的基于NMR的方法学局限性的见解。

更新日期：2017-07-13

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