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核磁共振光谱在药物发现与开发中的应用:物理化学性质评估

NMR spectroscopy in drug discovery and development: Evaluation of physico-chemical properties.

作者信息

Zloh Mire

机构信息

UCL School of Pharmacy, University College London, 29/39 Brunswick Square, London, WC1N 1AX, UK.

Faculty of Pharmacy, University Business Academy, Trg mladenaca 5, 21000, Novi Sad, Serbia.

出版信息

ADMET DMPK. 2019 Dec 11;7(4):242-251. doi: 10.5599/admet.737. eCollection 2019.

Abstract

Determination of physico-chemical properties of compounds is one of the corner-stones in selection of hit molecules for further progression into lead development in the modern drug discovery process. The speed of traditional analyses and limited quantities of hit molecules are obstacles for efficient acquisition of experimental data. Herein, the range of applications of quantitative nuclear magnetic resonance (NMR) spectroscopy as a fast technique used to evaluate solubility, log P and pKa are discussed.

摘要

化合物物理化学性质的测定是现代药物发现过程中选择命中分子以进一步推进到先导物开发的基石之一。传统分析的速度以及命中分子数量有限是有效获取实验数据的障碍。本文讨论了定量核磁共振(NMR)光谱作为一种用于评估溶解度、log P和pKa的快速技术的应用范围。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7bb1/8963582/195447235c3f/Admet-7-737-g001.jpg

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