Table 3. Анализ межмолекулярных взаимодействий компонентов водорослей в активном центре α-глюкозидазы

Compound

Binding energy

(kcal/mol)

Number of hydrogen bonds

Residues involved in hydrogen bonds

Residues involved in hydrophobic bonds

π-π interactions

IC50
(µM)*

Phlorofucofuroeckol-A

-10.5

5

Asp1157, Arg1510, Tyr1251, Asp1420, Leu1367

Trp1369

Tyr1251

1.37

Dieckol

-9.6

 

Arg1510, Gly1588, Thr1586, Asp1157

-

Phe1559

10.8

7-phloroeckol

-9.2

4

Asp1526, Asp1420, Arg1510, Gly1365

Met1421

-

6.13

Eckol

-8.7

4

Arg1510, Asp1526, Asp1420, Thr1586

Met1421

-

11.16

Dioxinodehydroeckol

-8.3

4

Asp1157, Asp1420, Asp1279

Phe1560, Phe1559, Trp1355

-

34.6

Phloroglucinol

-5.4

4

His1584, Asp1526, Arg1510, Asp1279

-

Phe1559

141.18

Acarbose

-8.7

9

His1584, Asp1279, Asp1526, Arg1510, Asp1157

-

-

9.9

Note. * Значения IC50 взяты из Moon et al. [23].