Figure 6.

SVMSP rescoring of MD snapshots identifies ALDH2 inhibitors. The dehydrogenase activity was screened by measuring the rate of increase in the fluorescence of NADH upon propionaldehyde oxidation. (A) Percent activity of ALDH2 in the presence of 50 μM of each of the 111 compounds that were tested; (B) concentration-dependent curves for five compounds that inhibited in the initial screen; and (C) chemical structures for the five compounds (ALDH400, ALDH417, ALDH423, ALDH427, and ALDH440) along with their IC50s for inhibition of ALDH2 dehydrogenase activity.