Top scoring ligands for SARS-CoV-2 S-glycoprotein ACE2 receptor interface
| Name | Vina score | Zinc ID |
|---|---|---|
| pemirolast | −7.4 | ZINC5783214 |
| benserazide | −7.4 | ZINC3830273 |
| natural product: luteolin-mono arabinoside | −7.4 | ZINC18185774 |
| pyruvic acid calcium isoniazid | −7.3 | ZINC4974291 |
| natural product: quercetin | −7.3 | ZINC3869685 |
| protirelin | −7.3 | ZINC4096261 |
| carbazochrome | −7.2 | ZINC100029428 |
| nitrofurantoin | −7.2 | ZINC3875368 |
| benserazide | −7.2 | ZINC3830273 |
| carbazochrome | −7.1 | ZINC100045148 |
Note. Reprinted from “Repurposing therapeutics for COVID-19: supercomputer-based docking to the SARS-CoV-2 viral spike protein and viral spike protein-human ACE2 interface,” by Smith M, Smith JC. ChemRxiv. 2020 (http://dx.doi.org/10.26434/chemrxiv.11871402.v4). CC BY NC ND.