APPLICATIONS OF NUCLEAR MAGNETIC RESONANCE AND MASS SPECTROMETRY TO ANTICANCER DRUG DISCOVERY

摘要: Publisher Summary This chapter discusses the applications of nuclear magnetic resonance and mass spectrometry to anticancer drug discovery. Nuclear (NMR) provides a plethora tools that can be applied address number issues or questions typically occur during development program. NMR is routinely used determine high-resolution structures proteins protein–ligand complexes. Additionally, provide valuable information on dynamic behavior same These data are essential structure-based discovery has been fundamental issue associated with process, namely, verify chemical lead actually binds in biologically relevant manner protein target interest. A variety techniques, including 2D heteronuclear single quantum coherence, saturation transfer difference, 1D line-broadening, have successfully screening compound libraries by NMR. MS techniques for structure elucidation, analysis metabolism, diagnostics, screening. It found parallel as technique screen compounds bind biomoleules complementary nature MS/NMR assay combining inherent strengths these analytical techniques.