Table 1.
Analysis of LecA inhibitors S6 and 1–9 in direct binding (ITC, SPR) and competitive binding (FP) biophysical assays.
|
Structure |
Name |
ITC |
|
|
|
FP |
SPR |
|---|---|---|---|---|---|---|---|
|
|
|
K D |
ΔH |
−T ΔS |
n |
IC 50 |
K D |
|
|
|
[μM] |
[kJ/mol] |
[kJ/mol] |
|
[μM] |
[μM] |
|
|
S6 |
4.8±0.3 |
−48.9±1.6 |
18.6±0.5 |
0.9±0.0 |
50.3±5.4 |
6.7±0.3 |
|
|
1 |
9.4±4.3 |
−46.2±3.5 |
17.3±1.5 |
1.0±0.1 |
49.0±4.5 |
10.3±1.3 |
|
|
2 |
6.3±0.3 |
−50.3±1.1 |
20.7±0.3 |
1.0±0.1 |
60.7±2.5 |
6.0±0.2 |
|
|
3 |
8.3±0.3 |
−41.0±1.1 |
12.0±0.4 |
1.0±0.1 |
43.3±3.2 |
6.9±0.4 |
|
|
4 |
8.6±2.2 |
−43.9±2.6 |
14.9±0.8 |
1.0±0.0 |
41.7±3.3 |
7.2±0.2 |
|
|
5 |
6.7±2.4 |
−46.3±3.0 |
16.6±1.0 |
0.8±0.1 |
39.3±2.6 |
6.7±0.3 |
|
|
6 |
6.8±0.9 |
−45.1 ±1.7 |
15.6±0.6 |
0.8±0.1 |
60.7±6.8 |
7.7±0.4 |
|
|
7 |
8.6±0.6 |
−43.5±2.0 |
14.6±0.7 |
1.0±0.2 |
58.3±4.0 |
7.8±0.4 |
|
|
8 |
7.6±1.7 |
−38.7±2.8 |
9.4±0.8 |
1.1±0.1 |
67.7±4.5 |
6.4±0.2 |
|
|
9 |
8.8±0.7 |
−41.4±0.6 |
12.2±0.1 |
0.9±0.1 |
75.3±3.4 |
9.8±0.3 |
FP‐data for controls: IC50 Me‐α‐d‐Gal=196±7.8 μM; IC50 pNPG=103±6.1 μM.