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. 2016 Oct 24;11(10):e0164515. doi: 10.1371/journal.pone.0164515

Table 1. Antibacterial activity, cytotoxicity and Lipid II binding of BAS00127538 derivatives.

6jc37 6jc38 6jc39 6jc41-1 6jc43-1 6jc43-2 6jc48-1 6jc48-2 Jc-49-1 6jc51-1 BAS-00127538
S. aureus MRSA 1094 16 64 2 16 4 >=64 32 >=64 8 1 0.5
S. aureus HFH-30123 (MRSA) 16 >=64 4 32 4 >=64 32 >=64 8 2 0.5
E. faecium EF1509 (VRE) 64 >=64 4 22.62742 4 64 2.828427 4 16 0.5 2
E. faecium F118 (VRE) 64 >=64 4 8 4 >=64 5.656854 16 16 2 2
K. pneumoniae NR-15410 (KPC) >=64 >=64 64 >=64 >=64 >=64 >=64 >=64 >=64 16 8
K. pneumoniae NR-15411 (KPC) >=64 >=64 >=64 >=64 >=64 >=64 >=64 >=64 >=64 64 16
A. baumanii ATCC 19606 >=64 >=64 16 >=64 45.25483 >=64 >=64 >=64 >=64 8 4
P. aeruginosa PA01 >=64 >=64 >=64 >=64 >=64 >=64 >=64 >=64 >=64 64 64
P. aeruginosa X13273 >=64 >=64 >=64 >=64 >=64 >=64 >=64 >=64 >=64 45.25483 >=64
P. aeruginosa ATCC 27853 >=64 >=64 >=64 >=64 >=64 >=64 >=64 >=64 >=64 64 64
E. cloacae ATCC 13047 >=64 >=64 >=64 >=64 >=64 >=64 >=64 >=64 >=64 64 32
E. aerogenes ATCC 13048 >=64 >=64 >=64 >=64 >=64 >=64 >=64 >=64 >=64 64 16
CC50% (72 h HeLa cells) 18.96 >32 1.31 >32 0.93 >32 >100 60.51 2.2 <.78125 0.56
CC50%/MIC (based on S. aureus) 1.185 NA 0.655 >2 0.2325 NA 3.125 <0.945 0.275 <.78125 1.12
Lipid II binding Kd, µM No No 39±4 34±4 62±6 ND 0.15±0.03 1.14±0.3 0.17±0.05 9.2±2 1.81±0.3
6jc51-2 6jc-53-2 6jc-58 6jc-59-1 6jc-59-3 6jc-60-1 6jc64-1 6jc64-2 6jc64-3 6jc65-1 BAS-00127538
S. aureus MRSA 1094 2 2 1.41421 2 4 8 4 8 5.66 2.83 0.5
S. aureus HFH-30123 (MRSA) 4 4 2 2 4 8 4 8 4 2 0.5
E. faecium EF1509 (VRE) 0.5 8 4 4 5.656854 8 4 5.66 8 2 2
E. faecium F118 (VRE) 2 5.65685 4 4 8 8 5.66 16 8 4 2
K. pneumoniae NR-15410 (KPC) 64 >=64 45.2548 >=64 >=64 >=64 >=64 >=64 64 64 8
K. pneumoniae NR-15411 (KPC) >=64 >=64 64 >=64 >=64 >=64 >=64 >=64 64 >=64 16
A. baumanii ATCC 19606 32 >=64 8 >=64 >=64 >=64 16 >=64 >=64 11.31 4
P. aeruginosa PA01 >=64 >=64 64 >=64 >=64 >=64 >=64 >=64 >=64 64 64
P. aeruginosa X13273 >=64 >=64 32 >=64 >=64 >=64 >=64 >=64 >=64 64 >=64
P. aeruginosa ATCC 27853 >=64 >=64 64 >=64 >=64 >=64 >=64 >=64 >=64 64 >=64
E. cloacae ATCC 13047 >=64 >=64 64 >=64 >=64 >=64 >=64 >=64 64 64 32
E. aerogenes ATCC 13048 >=64 >=64 32 >=64 >=64 >=64 >=64 >=64 >=64 32 16
CC50% (72 h HeLa cells) <.78125 1.12 <.78125 <.78125 1.35 <.78125 <.78125 <.78125 3.29 <.78125 0.56
CC50%/MIC (based on S. aureus) <.39 0.56 0.56 0.39 0.3375 0.097 0.195 0.097 0.581 0.276 1.12
Lipid II binding Kd, µM 9.5±2 10±3 17±4 1.9±0.3 27.9±3 37.9±4 07.28±0.3 23.8±4 4.92±0.5 2.17±0.2 1.81±0.3
6jc65-2 6jc66-1 6jc66-2 6jc66-3 6jc66-4 6jc-67A 6jc-69-1 6jc-69-3 6jc-69-4 6jc-69-5 BAS-00127538
S. aureus MRSA 1094 2 2.83 4 8 2 1 2 4 8 >=64 0.5
S. aureus HFH-30123 (MRSA) 2 4 4 8 2 1 2 4 8 64 0.5
E. faecium EF1509 (VRE) 2 4 4 4 2 2 2 2.83 4 6 2
E. faecium F118 (VRE) 4 8 5.66 11.31 4 1.41 2 4 5.66 11.31 2
K. pneumoniae NR-15410 (KPC) 64 >=64 64 >=64 64 16 >=64 >=64 >=64 >=64 8
K. pneumoniae NR-15411 (KPC) >=64 >=64 >=64 >=64 >=64 32 >=64 >=64 >=64 >=64 16
A. baumanii ATCC 19606 32 45.25 64 >=64 64 4 32 >=64 >=64 >=64 4
P. aeruginosa PA01 >=64 >=64 >=64 >=64 >=64 64 >=64 >=64 >=64 >=64 64
P. aeruginosa X13273 >=64 >=64 >=64 >=64 >=64 32 >=64 >=64 >=64 >=64 >=64
P. aeruginosa ATCC 27853 >=64 >=64 >=64 >=64 >=64 32 >=64 >=64 >=64 >=64 >=64
E. cloacae ATCC 13047 64 >=64 >=64 >=64 >=64 32 >=64 >=64 >=64 >=64 32
E. aerogenes ATCC 13048 64 >=64 >=64 >=64 >=64 16 >=64 >=64 >=64 >=64 16
CC50% (72 h HeLa cells) 0.94 1.36 1.42 5.68 0.92 <.78125 <.78125 <.78125 3.09 4.43 0.56
CC50%/MIC (based on S. aureus) 0.47 0.48 0.355 0.71 0.46 0.78 0.39 0.195 0.38 0.06 1.12
Lipid II binding Kd, µM 3.9±0.4 2.9±0.3 1.6±0.2 60±11 27.9±2 7.89±0.2 16.1±0.3 0.6±0.1 30.3±0.5 32.7±2 1.81±0.3