Table 5.

Docking scores of wild-type and mutant drug bound proteins.

Gene	Drug	Wild type and mutants	Glide docking score (kcal/mol)
katG	Isoniazid	wild type	−4.41
		L587I	−4.29
		N238K	−4.09
		L634F	−4.30
		L619P	−4.17
pncA	Pyrazinamide	wild type	−4.20
		L96E	−3.55
		V155M	−3.48
Fluoroquinolones
gyrA (N-terminal)		wild type
	Ofloxacin		−3.18
	Moxifloxacin		−2.17
	Ciprofloxacin		−2.86
		L711M
	Ofloxacin		−1.14
	Moxifloxacin		−0.09
	Ciprofloxacin		−2.39
gyrA (C-terminal)		wild type
	Ofloxacin		−2.72
	Moxifloxacin		−3.00
	Ciprofloxacin		−3.52
		Q431E
	Ofloxacin		−2.34
	Moxifloxacin		−2.24
	Ciprofloxacin		−2.85
gyrB		wild type
	Ofloxacin		−4.48
	Moxifloxacin		−4.15
	Ciprofloxacin		−4.07
		N499T
	Ofloxacin		−3.86
	Moxifloxacin		−3.79
	Ciprofloxacin		−2.05