a For IC50 determinations, serial dilutions of compounds were tested starting at a high concentration of 80 µM versus the E. coli expressed GST-GAPDHS. If 50% inhibition was not achieved at top dose, value is shown as % inhibition at 80 µM. IC50 values are the average for at least three independent determinations.
b IC50 and Hill slope values determined by XLfit software (ID Business Solutions).
c LE: ligand efficiency (Δg=ΔG
Nnon-H atoms-1), a measure of the binding energy of the ligand per non-hydrogen atom [
30].
d BEI: binding efficiency index (BEI=-logIC
50 MW-
1) a measure of the binding affinity of the ligand per ligand molecular weight [
29].
e N/A not applicable, as a dose response curve was not generated.
f IC
50 determinations from dose response against the baculovirus expressed his-GAPDHS [
22]. Values determined by XLfit software (ID Business Solutions). ND, not determined.