Determining transition states from kinetic isotope effects.

摘要: BEBOVA-based TS determination has been very successful in elucidating enzyme mechanisms at a level of detail that would be otherwise inaccessible. The resulting structures have used successfully as the basis for designing mimics inhibitors with dissociation constants to 10(-11) M. structure interpolation approach systematized process finding TS, increasing both speed and accuracy determination. combination information from several TSs into unified model increases significantly results an extremely sensitive probe changes varying reaction conditions (i.e., enzymatic vs nonenzymatic reactions, different enzymes, or nucleophiles). is summarized Fig. 15.