Experimental Validation
DARTS + CETSA + Functional Confirmation
Validation Process
1Experimental Validation
2Functional Confirmation
Experimental Validation
DARTS (Western blot → MS) + CETSA
Functional Confirmation
Knockdown / KO target protein → verify DHEA effect
Reported Targets (Literature Data)
| Protein | Interaction | Evidence |
|---|---|---|
| SHBG | Direct Binding | Kd measured |
| Androgen receptor | Partial Agonist | Mechanism clear |
| G6PD | Enzyme Inhibition | Kd measured |
| GABA-A receptor | Allosteric Modulator | Electrophysiology |
Priority Criteria for Candidate Proteins
| Tiêu chí | Nguồn bằng chứng | Trọng số |
|---|---|---|
| Docking score ΔG ≤ −8 kcal/mol | AutoDock Vina / GNINA | High |
| Appears in ≥ 2 ML prediction tools | SwissTargetPrediction + SEA | High |
| Has steroid-compatible hydrophobic binding pocket | PDB structure analysis | High |
| Hub protein in DHEA-related PPI network | STRING + Cytoscape | Medium |
| Expression changes in DHEA transcriptomics | GEO datasets | Medium |
| Steroid analog with known affinity | ChEMBL / BindingDB | Medium |
| Related to disease DHEA treats | OMIM / DisGeNET | Supplementary |