TABLE 3

Thermodynamic analysis of interactions between M. tuberculosis LeuRS and benzoxaborole compoundsa

CompoundKd (μM)ΔGap (kcal mol−1)ΔHap (kcal mol−1)TΔSap (kcal mol−1)No. of sites
23.7−7.4−1.1−6.31.05
130.075−9.7−4.2−5.51.19
110.040−10.0−5.5−4.61.02
  • a The errors in the thermodynamic binding parameters are ∼5% for the apparent binding enthalpy and 10% for the apparent binding constant and the number of sites. Kd, dissociation constant; ΔG, change in Gibb's free energy; ΔH, change in enthalpy; ΔS, change in entropy. Values are the averages of data from at least 2 independent experiments.