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].