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<p>NMR screening methods based on <sup>19</sup>F NMR experiments, such as <sup>19</sup>F{<sup>1</sup>H} saturation transfer difference, <sup>19</sup>F spin–spin relaxation time and <sup>19</sup>F diffusion coefficients, were evaluated for assessing complex formation for fluorinated compounds. The quantitative ligand-observed <sup>1</sup>H NMR assay was also carried out to determine&#xa0;<i>K</i><sub>d</sub>&#xa0;values using transverse relaxation rate&#xa0;<i>R</i><sub>2</sub>&#xa0;and diffusion coefficients. The combinational analysis using various <sup>19</sup>F/<sup>1</sup>H NMR experiments was shown to be an effective means of assessing complex formation for fluorinated compounds.</p>

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Practical NMR screening strategy for analyses of fluorinated compounds bound to proteins

  • 期刊论文

  • 发表日期：

    2026年2月16日

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  • Kazuo Furihata,
  • Sin-ichi Tsukada,
  • Ayumi Tsutsui,
  • Mitsuru Tashiro

摘要

NMR screening methods based on 19F NMR experiments, such as 19F{1H} saturation transfer difference, 19F spin–spin relaxation time and 19F diffusion coefficients, were evaluated for assessing complex formation for fluorinated compounds. The quantitative ligand-observed 1H NMR assay was also carried out to determine Kd values using transverse relaxation rate R2 and diffusion coefficients. The combinational analysis using various 19F/1H NMR experiments was shown to be an effective means of assessing complex formation for fluorinated compounds.