TABLE 3.
The docking scores between HHXYT’s key targets and compounds (kcal/mol).
| Target | Target structure ID | Compound | Binding score |
|---|---|---|---|
| AR | 2q7i | Formononetin | −9.3 |
| Glycyrrhetinic acid | −17.4 | ||
| Isoliquiritigenin | −8.2 | ||
| CYP11A1 | 3n9y | Glycyrrhetinic acid | −15.7 |
| Glycyrrhizic acid | −14.7 | ||
| CYP17A1 | 6ciz | Formononetin | −8.6 |
| Protocatechuic acid | −5.8 | ||
| ESR1 | 2qgw | Ferulic acid | −6.2 |
| Formononetin | −9.3 | ||
| Glycyrrhetinic acid | −16.6 | ||
| Isoliquiritigenin | −8.1 | ||
| Liquiritigenin | −9.5 | ||
| Protocatechuic acid | −6.1 | ||
| HSD3B2 | AF-P26439-F1-model_v1 | Formononetin | −9.4 |