Table 1.

Binding affinities and Inhibition constant (T = 298.15 K) of first-line Anti-TB drugs.

Compounds	Binding energy (kcal/mol)	Inhibition constant, µM
Natural substrate	−6.63 ± 0.02	14
streptomycin	−6.25 ± 0.01	26
rifampicin	−6.19 ± 0.04	29
ethambutol	−4.12 ± 0.01	950
isoniazid	−4.44 ± 0.01	553
pyrazinamide	−4.04 ± 0.01	1078