Table 4.

Induced fit docking (IFD) and MM-GBSA (ΔG bind) calculations of selected compounds on InhA_MTB and InhA_MAB.

Target	Ligand	MIC99 (μg/mL)	Docking score (kcal/mol)	Glide Emodel	Glide energy	MM-GBSA ΔG bind (kcal/mol)
InhAMTB	11b	25	−9.215	−91.212	−57.541	−52.00
	11f	6.25	−11.078	−92.364	−57.319	−68.57
	TCS	12.5	−7.258	−69.400	−48.512	−36.40
InhAMAB	11b	0.78	−9.893	−93.578	−62.647	−87.59
	11c	25	−7.728	−66.141	−50.845	−76.76
	TCS	3.125	−8.032	−50.294	−37.764	−72.99