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Application of NMR Screening Methods with 19F Detection to Fluorinated Compounds Bound to Proteins

Division of Agriculture and Agricultural Life Sciences, The University of Tokyo, Yayoi, Bunkyo-ku, Tokyo 113-8657, Japan
Department of Chemistry, College of Science and Technology, Meisei University, Hino, Tokyo 191-8506, Japan
Author to whom correspondence should be addressed.
Magnetochemistry 2018, 4(1), 3;
Received: 11 November 2017 / Revised: 7 December 2017 / Accepted: 21 December 2017 / Published: 27 December 2017
(This article belongs to the Special Issue Nuclear Magnetic Resonance Spectroscopy)
PDF [483 KB, uploaded 27 December 2017]


The combinational use of one-dimensional (1D) NMR-based screening techniques with 1H and 19F detections were applied to a human serum albumin–diflunisal complex. Since most NMR screening methods observe 1H spectra, the overlapped 1H signals were unavailable in the binding epitope mapping. However, the NMR experiments with 19F detection can be used as an effective complementary method. For the purpose of identifying the 1H and 19F binding epitopes of diflunisal, this paper carries out a combinatorial analysis using 1H{1H} and 19F{1H} saturation transfer difference experiments. The differences of the 1H-inversion recovery rates with and without target irradiation are also analyzed for a comprehensive interpretation of binding epitope mapping. View Full-Text
Keywords: NMR-based screening; fluorinated compound; diflunisal; 19F NMR NMR-based screening; fluorinated compound; diflunisal; 19F NMR

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Furihata, K.; Usui, M.; Tashiro, M. Application of NMR Screening Methods with 19F Detection to Fluorinated Compounds Bound to Proteins. Magnetochemistry 2018, 4, 3.

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