Table 2.
Possible interactions between MPP dihydrochloride and ERα.
| Molecule | Point interaction | Category | Donor atom | Acceptor atom | Binding energy |
|---|---|---|---|---|---|
| ERα – MPP dihydrochloride | MPP dihydrochloride:N – ASP333:OD2 | Hydrogen bond | N | OD2 | −341.22 kJ/mol |
| MPP dihydrochloride:H – LEU159:O | Hydrogen bond | H | O | ||
| MPP dihydrochloride:H – ARG326:O | Hydrophobic bond | H | O | ||
| ASP329:H - MPP dihydrochloride:C | Hydrophobic bond | H | C | ||
| GLN351:O - MPP dihydrochloride:C | Hydrophobic bond | O | C | ||
| ERα, MPP dihydrochloride + 17 β-estradiol | – | – | – | – | −216.66 kJ/mol |
| ERα, MPP dihydrochloride + genistein | – | – | – | – | −205.45 kJ/mol |