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. 2021 Apr 16;26(8):2326. doi: 10.3390/molecules26082326

Table 1.

Binding energy of hit compounds with Mtb proteasome (monomer and dimer).

Compound Binding Energy (kcal/mol) Inhibition Constant (µM)
Monomer Dimer Monomer Dimer
ZINC3875469 −7.19 −8.05 28.9 26.54
ZINC4076131 −7.95 −9.10 43.24 0.213
ZINC1883067 −7.21 −7.07 27.92 23.96
HT1171 * −5.83 −5.97 45.36 47.01

* Positive control for Mtb proteasome.