Table 1.

Summary of docking scores and activity data for the library.

ID	R1	R2	R3	Glide XP Score	PA14 Remaining Activity % *	PAO1-L Remaining Activity % *	IC50 PA14 µM *	IC50 PAO1-L µM *
Ia	-H	-Cl	4-H	−9.856	18.7 ± 1.98	25.8 ± 1.17	2.3 ± 0.51	12.4 ± 1.79
Ib	-H	-Cl	4-Me	−5.179	78.4 ± 6.51	77.0 ± 2.25
Ic	-H	-Cl	4-OMe	−6.984	101.8 ± 11.67	100.3 ± 8.46
Id	-H	-Cl	3,4,5-OMe	−7.265	109.9 ± 14.98	130.3 ± 5.04
Ie	-H	-Cl	4-F	−5.24	70.4 ± 6.53	40.6 ± 3.71
Ig	-H	-Cl	4-Br	−6.34	94.8 ± 8.91	88.1 ± 6.05
Ih	-H	-Cl	3,4-Methy-lenedioxy	−4.056	85.8 ± 9.42	49.9 ± 12.01
Ii	-H	-CF3	4-H	−8.087	16.6 ± 1.3	15.6 ± 2.53	5.0 ± 0.82	5.1 ± 0.32
Ij	-H	-CF3	4-Me	−6.868	84.9 ± 8.17	93.7 ± 6.15
Ik	-H	-CF3	4-OMe	−4.867	99.7 ± 9.37	78.6 ± 5.75
Il	-H	-CF3	3,4,5-OMe	−2.219	106 ± 15.27	85.8 ± 2.39
Im	-H	-CF3	4-F	−7.118	74.9 ± 8.28	65.1 ± 4.89	-
In	-H	-CF3	4-Cl	−6.044	93.6 ± 4.45	61.8 ± 3.97
Io	-H	-CF3	4-Br	−6.390	80.6 ± 6.26	68.5 ± 3.43
Ip	-H	-CF3	3,4-Methy-lenedioxy	−6.099	81.4 ± 9.36	84.3 ± 5.48
IIa	-Me	-Cl	4-H	−8.918	19.7 ± 1.9	31.6 ± 6.60	4.0 ± 1.62	1.6 ± 0.29
IIb	-Me	-Cl	4-Me	−5.0855	96.2 ± 4.34	59.5 ± 1.86
IIc	-Me	-Cl	4-OMe	−6.58033	114.9 ± 2.13	120.3 ± 8.28
IId	-Me	-Cl	3,4,5-OMe	−6.5015	110.4 ± 1.6	127.3 ± 9.69
IIe	-Me	-Cl	4-F	−7.1105	120.4 ± 1.59	82.6 ± 22.73
IIf	-Me	-Cl	4-Cl	−7.732	102.6 ± 4.91	90.2 ± 3.84
IIg	-Me	-Cl	4-Br	−4.9555	108.6 ± 2.79	63.7 ± 5.01
IIh	-Me	-Cl	3,4-Methy-lenedioxy	−4.13	115.4 ± 6.02	65.8 ± 5.63
IIi	-Me	-CF3	4-H	−8.5165	16.8 ± 1.01	26.1 ± 0.99	4.9 ± 0.30	5.14 ± 0.60
IIj	-Me	-CF3	4-Me	−5.371	108.2 ± 6.05	97.3 ± 6.46
IIk	-Me	-CF3	4-OMe	−6.799	118.1 ± 5.97	66.7 ± 0.42
IIl	-Me	-CF3	3,4,5-OMe	−7.006	102.9 ± 4.84	86.1 ± 2.39
IIm	-Me	-CF3	4-F	−3.578	99.9 ± 3.17	90.2 ± 4.40
IIn	-Me	-CF3	4-Cl	−5.533	98.1 ± 11.38	97.8 ± 5.52
IIo	-Me	-CF3	4-Br	−7.5535	95.6 ± 9.58	80.8 ± 5.06
IIp	-Me	-CF3	3,4-Methylenedioxy	−6.8975	99.6 ± 4.09	71.6 ± 5.07

* Values are reported as Mean ± SD of n = 3 replicates.