An Accurate Pharmacophore Mapping Method by NMR Spectroscopy

摘要

A wide variety of compound libraries are currently available to obtain active compounds for drug target proteins, but the affinities of initially screened compounds are usually too low and have to be improved by chemical modification of the compounds. In such cases, pharmacophore information of the compounds plays a key role for the next modification step. Structure determination of the protein-compound complex is too time-consuming to be applied for such situations. Therefore, many chemists would highly appreciate simple and accurate experimental procedures to obtain pharmacophore information.