UM-DAE Centre for Excellence in Basic Sciences, University of Mumbai, Kalina Campus, Santacruz, Mumbai 400 098, India.
Department of Chemical Sciences, Tata Institute of Fundamental Research (TIFR), 1-Homi Bhabha Road, Colaba, Mumbai 400 005, India.
J Magn Reson. 2018 Dec;297:108-112. doi: 10.1016/j.jmr.2018.10.013. Epub 2018 Oct 22.
NOAH (NMR byOrderedAcquisition using H-detection) type of pure shift NMR pulse scheme has been designed for the efficient utilization of magnetization that presents in a spin-system under consideration. The proposed strategy, PROSMASH-HSQC (PROtein-HSQC and SMAll molecule-HSQC Signals with Homodecoupling) uses the real-time BIRD pure shift NMR strategy and two HSQC spectra (C-HSQC for small molecules and N-HSQC for N-isotopic labelled proteins) can be recorded in a single NMR experiment. Thus, this method permits precise determination of drug-protein interactions at atomic levels by monitoring the chemical shift perturbations, and will have potential applications in drug discovery programs.
NOAH（使用 H 检测的有序采集 NMR）型纯位移 NMR 脉冲方案已被设计用于有效利用考虑中的自旋系统中存在的磁化强度。所提出的策略 PROSMASH-HSQC（具有同核去耦的 PROtein-HSQC 和 SMAll molecule-HSQC 信号）利用实时 BIRD 纯位移 NMR 策略，可以在单个 NMR 实验中记录两个 HSQC 谱（小分子的 C-HSQC 和 N-同位素标记蛋白的 N-HSQC）。因此，该方法通过监测化学位移扰动，可以在原子水平上精确确定药物-蛋白质相互作用，并且在药物发现计划中具有潜在的应用。
