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

摘要

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