. 2023 Jun 25;24(13):10605. doi: 10.3390/ijms241310605

Table 3.

Thermodynamic parameters of interactions between MAO-A and compounds 1–4.

Compound	K_D (μmol/L)	K_A ∗ 10³ (L/mol)	∆H (kJ/mol)	∆G (kJ/mol)	∆S (J/mol ∗ K)	IC₅₀ (1 μmol/L Inhibitor:1 μmol/L MAO-A)	K_i (μmol/L) K_M 5-HT 0.35 mmol
1	24.30 ± 1.39 ^a	41.15 ± 0.36 ^d	−4.51 ± 0.02 ^e	−27.33 ± 1.14	73.85 ± 1.05 ^d	6.51 ± 2.29 ^l	241.00 ± 3.55 ^c,d
2	29.90 ± 1.09 ^a	33.44 ± 0.15 ^a	−7.77 ± 0.01 ^e	−26.79 ± 1.55 ^j	61.55 ± 1.84 ^d	9.66 ± 0.64 ^l	994.00 ± 3.18 ^e
3	239.00 ± 4.25 ^c	4.18 ± 0.35 ^e	−19.19 ± 0.01 ^f	−23.49 ± 1.42 ⁱ	13.92 ± 0.92 ^a	1.29 ± 0.59 ^k	<0.001 ^a
4	67.40 ± 3.15 ^d	14.83 ± 0.25 ^e	−13.37 ± 0.02 ^f	−28.42 ± 1.43 ^j	48.71 ± 1.05 ^a	5.45 ± 0.10 ^l	128.00 ± 1.25 ^c
1, 2	147.00 ± 3.18 ^b	6.80 ± 0.15 ^e	−3.80 ± 0.02 ^e	−22.69 ± 1.91 ⁱ	61.13 ± 1.91 ^d	45.00 ± 4.44 ⁿ	0.08 ± 0.00 ^b
1, 3	320.00 ± 5.55 ^c	3.12 ± 0.25 ^e	−4.63 ± 0.02 ^e	−20.69 ± 1.52 ⁱ	51.97 ± 1.64 ^a	35.61 ± 3.45 ⁿ	200.00 ± 1.18 ^c,d
1, 4	24.60 ± 1.18 ^a	40.65 ± 0.33 ^d	−5.02 ± 0.02 ^e,g	−27.29 ± 1.33 ^j	72.07 ± 1.25 ^d	14.03 ± 1.25 ^m	716.00 ± 3.95 ^e
2, 4	20.00 ± 1.45 ^a	50.00 ± 0.49 ^d	−5.60 ± 0.01 ^e,g	−27.84 ± 1.45 ^j	71.97 ± 1.85 ^d	5.63 ± 2.45 ^l	<0.001 ^a
2, 3	21.70 ± 1.49 ^a	46.08 ± 0.19 ^d	−5.27 ± 0.01 ^e,g	−27.62 ± 1.54 ^j	72.33 ± 1.08 ^d	15.02 ± 1.15 ^m	0.94 ± 0.01 ^b
3, 4	109.00 ± 2.55 ^b	9.17 ± 0.52 ^e	−8.28 ± 0.01 ^e	−23.74 ± 1.59 ⁱ	50.03 ± 1.19 ^a	2.02 ± 1.19 ^k	0.92 ± 0.01 ^b

* Values are expressed as mean value ± SD; n = 3; different letters in one column or no index correspond to significant differences (p < 0.05).