Application of nmr screening methods with19f detection to fluorinated compounds bound to proteins

Abstract

The combinational use of one-dimensional (1D) NMR-based screening techniques with1H and19F detections were applied to a human serum albumin–diflunisal complex. Since most NMR screening methods observe1H spectra, the overlapped1H signals were unavailable in the binding epitope mapping. However, the NMR experiments with19F detection can be used as an effective complementary method. For the purpose of identifying the1H and19F binding epitopes of diflunisal, this paper carries out a combinatorial analysis using1H{1H} and19F{1H} saturation transfer difference experiments. The differences of the1H-inversion recovery rates with and without target irradiation are also analyzed for a comprehensive interpretation of binding epitope mapping.