Design of Thymidine Analogues Targeting Thymidilate Kinase of Mycobacterium tuberculosis

Table 1

Training and validation sets of TMD inhibitors for QSAR model.

Training set	R1	R2	R3	R4	𝐾𝑖^exp (μM)	Reference
TMD1					1020	[15]
TMD2					212
TMD3					33
TMD4					5
TMD5					7	[17]
TMD6					238
TMD7					521
TMD8					230
TMD9					1900
TMD10					57
TMD11					45
TMD12					41	[16]
TMD13					393
TMD14					156
TMD15					27
Validation set	R1	R2	R3	R4	𝐾𝑖^exp (μM)	Reference
TMV1					90	[15–17]
TMV2					715
TMV3					1148
TMV4					28
TMV5					820
TMV6					270

aHydroxyl in β position.