High-throughput NMR in Pharmaceutical R&D

被引:0
作者
Hollerton, John C. [1 ]
机构
[1] Glaxosmithkline R&D, Stevenage, Herts, England
来源
EMAGRES | 2015年 / 4卷 / 02期
关键词
NMR spectroscopy; high throughput; data acquisition; flow-NMR; automation;
D O I
10.1002/9780470034590.emrstm1390
中图分类号
O433 [光谱学];
学科分类号
0703 ; 070302 ;
摘要
Achieving high-throughput NMR requires optimization of all of the individual steps in the process from sample preparation through to data interpretation. This article outlines some of the considerations needed to ensure that the complete process is optimized. Three different workflows are examined as examples: purity and identity of solid samples, purity and identity of screening solutions, and fragment-based drug discovery. In each case, the individual process steps are shown (sample preparation, sample introduction, system preparation, data acquisition, and data analysis).
引用
收藏
页码:289 / 294
页数:6
相关论文
共 21 条
  • [1] Reversible Interactions with para-Hydrogen Enhance NMR Sensitivity by Polarization Transfer
    Adams, Ralph W.
    Aguilar, Juan A.
    Atkinson, Kevin D.
    Cowley, Michael J.
    Elliott, Paul I. P.
    Duckett, Simon B.
    Green, Gary G. R.
    Khazal, Iman G.
    Lopez-Serrano, Joaqun
    Williamson, David C.
    [J]. SCIENCE, 2009, 323 (5922) : 1708 - 1711
  • [2] Identification of compounds with binding affinity to proteins via magnetization transfer from bulk water
    Dalvit, C
    Pevarello, P
    Tatò, M
    Veronesi, M
    Vulpetti, A
    Sundström, M
    [J]. JOURNAL OF BIOMOLECULAR NMR, 2000, 18 (01) : 65 - 68
  • [3] Evaluation of algorithms for automated phase correction of NMR spectra
    de Brouwer, Hans
    [J]. JOURNAL OF MAGNETIC RESONANCE, 2009, 201 (02) : 230 - 238
  • [4] NMR quantification using an artificial signal
    Farrant, Roger D.
    Hollerton, John C.
    Lynn, Sean M.
    Provera, Stefano
    Sidebottom, Philip J.
    Upton, Richard J.
    [J]. MAGNETIC RESONANCE IN CHEMISTRY, 2010, 48 (10) : 753 - 762
  • [5] Automated structure verification based on a combination of 1D 1H NMR and 2D 1H-13C HSQC spectra
    Golotvin, Sergey S.
    Vodopianov, Eugene
    Pol, Rostislav
    Lefebvre, Brent A.
    Williams, Antony J.
    Rutkowske, Randy D.
    Spitzer, Timothy D.
    [J]. MAGNETIC RESONANCE IN CHEMISTRY, 2007, 45 (10) : 803 - 813
  • [6] High-throughput microcoil NMR of compound libraries using zero-dispersion segmented flow analysis
    Kautz, RA
    Goetzinger, WK
    Karger, BL
    [J]. JOURNAL OF COMBINATORIAL CHEMISTRY, 2005, 7 (01): : 14 - 20
  • [7] Direct-injection NMR (DI-NMR): A flow NMR technique for the analysis of combinatorial chemistry libraries
    Keifer, PA
    Smallcombe, SH
    Williams, EH
    Salomon, KE
    Mendez, G
    Belletire, JL
    Moore, CD
    [J]. JOURNAL OF COMBINATORIAL CHEMISTRY, 2000, 2 (02): : 151 - 171
  • [8] Keyes P, 2012, AM LAB, V44, P26
  • [9] CRAFT (complete reduction to amplitude frequency table) - robust and time-efficient Bayesian approach for quantitative mixture analysis by NMR
    Krishnamurthy, Krish
    [J]. MAGNETIC RESONANCE IN CHEMISTRY, 2013, 51 (12) : 821 - 829
  • [10] Defining and maintaining a high quality screening collection: the GSK experience
    Lane, SJ
    Eggleston, DS
    Brinded, KA
    Hollerton, JC
    Taylor, NL
    Readshaw, SA
    [J]. DRUG DISCOVERY TODAY, 2006, 11 (5-6) : 267 - 272