Table 1. Binding energy for the bioactive constituents at the active site versus allosteric binding pocket of PTP1B
Seaweed bioactive component |
IC50 (µM) |
Binding Energy (kcal/mol) |
|
Active site |
Allosteric site |
||
Phlorofucofuroeckol-A |
0.56* |
-8.0 |
-8.6 |
Dieckol |
1.18* |
-9.0 |
-9.2 |
7-phloroeckol |
2.09* |
-8.1 |
-8.5 |
Eckol |
2.64* |
-7.7 |
-8.2 |
Dioxinodehydroeckol |
29.97* |
-8.6 |
-7.9 |
Phloroglucinol |
55.48* |
-2.1 |
-4.8 |
Inhibitor 3 (Reference) |
8.0** |
-9.0 |
-8.8 |
Note. *Data from Moon et al, 2004 [23], **Data from Wiesmann et al., 2004 [7].