Research Article
Design of Thymidine Analogues Targeting Thymidilate Kinase of Mycobacterium tuberculosis
Table 4
Designed analogs with predicted activity.
| | | | | | | | |
| Analogue | | | | |
comp | (nM) |
| TMA1 | 305 | −7.01 |
1.28
| −1.52 | −7.24 |
4457
| TMA2 | 320 | −16.01 |
3.67
| −2.70 | −15.03 |
24
| TMA3 | 255 | −14.98 |
3.25
| −0.82 | −12.55 |
125
| TMA4 | 340 | −7.76 | −0.63 | −4.21 | −12.60 |
121
| TMA5 | 354 | −7.45 |
1.14
| −5.05 | −11.35 |
280
| TMA6 | 355 | −4.20 | −2.90 | −3.10 | −10.21 |
606
| TMA7 | 271 | −18.39 |
4.66
| −1.98 | −15.71 |
15
| TMA8 | 285 | −17.68 |
6.85
| −3.21 | −14.03 |
46
| TMA9 | 256 | −14.51 |
4.59
| −1.11 | −11.03 |
348
| TMA10 | 270 | −14.88 |
3.32
| −1.82 | −13.38 |
72
| TMA11 | 266 | −14.67 |
4.31
| −1.96 | −12.32 |
146
| TMA12 | 309 | −21.47 |
3.47
| −4.49 | −22.49 |
0.155
| TMA13 | 275 | −15.99 |
3.31
| −2.34 | −15.02 |
24
| TMA14 | 259 | −14.85 |
2.97
| −2.05 | −13.93 |
49
| TMA15 | 257 | −16.21 |
3.82
| −1.42 | −13.82 |
53
| TMA16 | 298 | −20.08 |
3.41
| −5.82 | −22.50 |
0.155
| TMA17 | 298 | −19.78 |
3.14
| −4.68 | −21.32 |
0.341
| TMA18 | 323 | −21.50 |
18.09
| −6.50 | −9.91 |
741
| TMA19 | 318 | −15.10 |
3.43
| −1.75 | −13.42 |
69
| TMA20 | 338 | −5.13 | −0.73 | −2.60 | −8.46 |
1962
| TMA21 | 352 | −6.36 |
0.77
| −4.34 | −9.92 |
733
| TMA22 | 254 | −13.68 |
4.05
| −0.81 | −10.44 |
518
| TMA23 | 307 | −21.15 |
15.85
| −4.74 | −10.04 |
676
| TMA24 | 273 | −15.14 |
2.31
| −1.35 | −14.18 |
42
| TMA25 | 257 | −14.61 |
3.02
| −1.91 | −13.50 |
66
| TMA26 | 255 | −15.25 |
2.97
| −0.69 | −12.97 |
94
| TMA27 | 321 | −19.66 |
19.04
| −6.67 | −7.29 |
4305
| TMA28 | 319 | −12.29 |
2.96
| −2.17 | −11.50 |
254
| TMA29 | 254 | −11.30 |
2.59
| −0.77 | −9.48 |
989
| TMA30 | 339 | −3.88 | −1.82 | −3.66 | −9.36 |
1067
| TMA31 | 353 | −3.74 |
0.46
| −5.27 | −8.55 |
1849
| TMA32 | 270 | −14.46 |
3.17
| −1.79 | −13.08 |
87
| TMA33 | 284 | −13.86 |
6.19
| −3.03 | −10.71 |
431
| TMA34 | 255 | −10.78 |
3.93
| −0.95 | −7.80 |
3054
| TMA35 | 269 | −11.32 |
2.64
| −1.73 | −10.41 |
528
| TMA36 | 265 | −10.92 |
3.66
| −1.45 | −8.71 |
1658
| TMA37 | 308 | −17.88 |
2.81
| −4.63 | −19.70 |
1
| TMA38 | 274 | −12.24 |
2.62
| −1.82 | −11.44 |
265
| TMA39 | 258 | −11.05 |
2.26
| −1.55 | −10.34 |
554
| TMA40 | 256 | −12.45 |
3.23
| −1.09 | −10.31 |
564
| TMA41 | 317 | −12.78 |
2.85
| −3.03 | −12.96 |
95
| TMA42 | 337 | −2.27 | −1.60 | −3.68 | −7.56 |
3606
| TMA43 | 253 | −11.28 |
3.32
| −2.61 | −10.57 |
474
| TMA44 | 306 | −17.31 |
15.03
| −5.22 | −7.50 |
3749
| TMA45 | 272 | −12.80 |
2.22
| −2.69 | −13.27 |
77
| TMA46 | 256 | −11.71 |
2.74
| −2.29 | −11.26 |
298
| TMA47 | 254 | −12.54 |
2.36
| −1.30 | −11.48 |
257
|
|
|
See Table 2.
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