Table 15.

Binding affinities and Inhibition constant (T = 298.15 K) of newly designed GlfT2 inhibitors.

Compounds	Binding energy (kcal/mol)	Inhibition constant, µM
Natural substrate	−6.63 ± 0.02	14
1	−14.67 ± 0.04	1.71 × 10−4
2	−11.08 ± 0.02	1.95 × 10−3
3	−10.32 ± 0.02	2.7 × 10−1
4	−19.23 ± 0.05	7.7 × 10−9