Table 2. Molecular interaction analysis of the seaweed compounds at the allosteric site of PTP1B
|
Compound |
Number of hydrogen bonds |
Residues involved in hydrogen bonds |
Residues involved in hydrophobic bonds |
π-π interactions |
|
Phlorofucofuroeckol-A |
2 |
Glu276, Asn193 |
Phe280 |
Phe280 |
|
Dieckol |
3 |
Arg199, Phe196, Glu276 |
Phe280 |
Phe196, Phe280 |
|
7-phloroeckol |
5 |
Phe196, Glu200, Asn193, Glu276, Ala189 |
Phe196, Phe280 |
Phe280, Phe196 |
|
Eckol |
5 |
Ala189, Glu276, Gly277, Glu200, Asn193 |
Leu192, Phe280 |
Phe196, Phe280 |
|
Dioxinodehydroeckol |
2 |
Glu273, Gly277 |
Leu192, Phe280, Phe196 |
Phe280 |
|
Phloroglucinol |
1 |
Gly277 |
Phe280 |
Phe196, Phe280 |
|
Control ligand |
2 |
Glu276, Asn193 |
Leu192, Phe196, Phe280 |
Phe196, Phe280 |