Table 2.
The binding affinities and Oral LD50 (rat) values of selected helicase inhibitors against NSP13
| Ligand (Pubchem ID) | Binding affinity (kcal/mol) | Oral LD50 (rat) (mg/kg) |
|---|---|---|
| Ivermectin (CID6321424) | −10 | 29.69 |
| Scutellarein (CID5281697) | −9.9 | 1854.96 |
| Myricetin (CID5281672) | −9.7 | 1251.16 |
| Suramin (CID5361) | −9.6 | 11,671.01 |
| Nogalamycin (CID5289019) | −9.4 | 171.21 |
| Doxorubicin (CID31703) | −9 | 859.5 |
| Paclitaxel (CID36314) | −9 | 316.76 |
| SSYA10-002 (CID2826467) | −8.8 | 715.56 |
| Amenamevir (CID11397521) | −8.6 | 291.04 |
| ST-193 (CID349985067) | −8.3 | 2790.18 |
| Ribavirin 5'-diphosphate (CID124970) | −8 | 4289.2 |
| Pritelivir (CID491941) | −8 | 115.04 |
| Ribavirin 5'-triphosphate (CID12210) | −7.8 | 1531.84 |
| DRBT (CID506146) | −7.4 | 3023.69 |
| Famciclovir (CID3324) | −6.7 | 3391.22 |
| GTPL10881-Compound-16 (CID146170994) | −6.7 | 722.23 |
| Valacyclovir (CID135398742) | −6.2 | 288.98 |
| 4,5,6,7-Tetrabromobenzotriazole (CID1694) | −6.1 | 48.65 |
| SSYA10-001 (CID2807230) | −5.9 | 1473.61 |