Tuberculosis Research and Treatment / 2013 / Article / Tab 1

Research Article

Design of Thymidine Analogues Targeting Thymidilate Kinase of Mycobacterium tuberculosis

Table 1

Training and validation sets of TMD inhibitors for QSAR model.

670836.tab.001a

Training setR1R2R3R4 (μM) Reference

TMD1670836.tab.001f670836.tab.001f670836.tab.001g670836.tab.001g1020 [15]
TMD2670836.tab.001b670836.tab.001f670836.tab.001g670836.tab.001g212
TMD3670836.tab.001p670836.tab.001f670836.tab.001g670836.tab.001g33
TMD4670836.tab.001h670836.tab.001f670836.tab.001g670836.tab.001g5

TMD5670836.tab.001i670836.tab.001f670836.tab.001g670836.tab.001k7 [17]
TMD6670836.tab.001i670836.tab.001j670836.tab.001g670836.tab.001g238
TMD7670836.tab.001b670836.tab.001g670836.tab.001g670836.tab.001g521
TMD8670836.tab.001i670836.tab.001f670836.tab.001l670836.tab.001g230
TMD9670836.tab.001i670836.tab.001g670836.tab.001l670836.tab.001f1900

TMD10670836.tab.001i670836.tab.001f670836.tab.001m670836.tab.001g57
TMD11670836.tab.001i670836.tab.001f670836.tab.001c670836.tab.001g45
TMD12670836.tab.001i670836.tab.001f670836.tab.001e670836.tab.001g41 [16]
TMD13670836.tab.001i670836.tab.001g670836.tab.001m670836.tab.001g393
TMD14670836.tab.001i670836.tab.001f670836.tab.001n670836.tab.001g156
TMD15670836.tab.001i670836.tab.001f670836.tab.001g670836.tab.001g27

Validation setR1R2R3R4 (μM)Reference

TMV1670836.tab.001i670836.tab.001f670836.tab.001g670836.tab.001o90 [1517]
TMV2670836.tab.001i670836.tab.001g670836.tab.001g670836.tab.001g715
TMV3670836.tab.001d670836.tab.001f670836.tab.001g670836.tab.001g1148
TMV4670836.tab.001i670836.tab.001f670836.tab.001b670836.tab.001g28
TMV5670836.tab.001e670836.tab.001f670836.tab.001g670836.tab.001g820
TMV6670836.tab.001g670836.tab.001f670836.tab.001g670836.tab.001g270

Hydroxyl in β position.