. Author manuscript; available in PMC: 2020 Jun 20.

Published in final edited form as: Cell Chem Biol. 2019 Mar 28;26(6):781–791.e6. doi: 10.1016/j.chembiol.2019.02.013

Table 1.

Microbiological and biochemical characteristics of INCAs, PAS-M, and MTX

		Mtb DHFR
Compounds	MIC (μg/mL)	K_i(nM)^a	k_off(min-1)^b	t_R (min)^c	Tm (°C)^d	Hu DHFR K_i (nM)	Mtb Rv2671 K_i (nM)
MTX	>100	1.6 ± 0.16	0.056 ± 0.006	18 ± 1.5	76 ± 3.5	0.7 ±0.11	ND
UCP1172	0.03	0.91 ±0.15	0.024 ± 0.003	42 ± 5.3	81 ± 3	60 ± 15	80 ± 6.5
UCP1175	0.125	6.55 ± 0.26	0.072 ± 0.008	14 ± 1.5	73 ± 3.2	51 ±3	1170 ±140
UCP1063	2	8 ± 1.3	0.096 ± 0.015	10.5 ± 1.6	71 ± 2.7	11.1 ± 1.3	52 ± 6.2
PAS-M	0.5^e	750 ± 120	0.643 ± 0.125	1.5 ± 0.3	68 ± 1.8	ND	27,500 ± 3500
UCP1163	4	9.1 ± 0.25	ND	ND	ND	120 ± 7.5	350 ± 12.5
UCP1164	0.5	9.9 ± 0.62	ND	ND	ND	144 ± 3.5	120 ± 8.5

Calculated as K_i=IC₅₀/(1+[S]/K_M),

k_off is assumed to be equal to the activity recovery rate constant from jump-dilution assay,

Calculated as the reciprocal of the rate constant (k_obs)

The T_m of the control (Mtb DHFR+NADPH) was determined to be 65 °C,

This value is the MIC of PAS. The MIC of PAS-M was determined to be 8 μg/ml (The difference is most likely due to permeability issues). All the experiments are performed in triplicates.