Table 1.
Summary of in silico reactivity parameters, in chemico RC50, and EC50 values for ARE signaling activity and Rad51 foci induction.
| Compound | ELUMO (eV) |
Softness (eV) |
Electrophilic Index (eV) |
RC50 (mM) |
Rad51 EC50 (M) |
ARE EC50 (M) |
|---|---|---|---|---|---|---|
| IAM | −1.89 | 0.370 | 3.90 | 0.559 | 3.80 × 10−6 | 2.05 × 10−6 |
| BAM | −0.82 | 0.298 | 2.60 | 0.973 | 5.69 × 10−6 | 1.92 × 10−6 |
| CAM | −0.22 | 0.271 | 2.07 | N/A | 3.00 × 10−4 | 9.47 × 10−6 |