TABLE 5.

Predicted MICs by computational screening and MLR function on virtual quinolones derived by modification of moxifloxacin, sparfloxacin, and gatifloxacin

Change	MIC (μg/ml) of:
	Moxifloxacin	Sparfloxacin	Gatifloxacin
Unchanged (experimental MIC)	0.2	0.4	0.9
R1 changesa
t-Butyl instead of cyclopropyl	0.1	0.2	0.2
2,4-difluorophenyl instead of cyclopropyl	0.3	0.4	0.5
R6 omitted	1.1	1.2	2.5
R7 changesa
Pyrrolidinyl instead of original groups	3.6	4.3	3.6
3′-Amino-pyrrolidinyl instead of original groups	2.1	2.5	2.1
R8 omitted	4.8	3.5	9.9
R8 changed (CH3 instead OCH3 or F)	1.1	0.4	1.9

^aR1 and R7 suppression has no sense, as all the quinolones used in the study had a substituent at these positions.