EC Number   |
Inhibitors |
Structure |
|---|
   3.4.17.23 | ergoloid |
potential inhibitor of the SARS-CoV-2-S protein:ACE2 complex |
 |
| 3.4.17.23 | eriodictyol |
potential inhibitor of the SARS-CoV-2-S protein:ACE2 complex |
  |
| 3.4.17.23 | Evans blue |
inhibits viral replication in a Vero-E6 cell-based SARS-CoV-2 infection assay |
|
| 3.4.17.23 | favipiravir |
potential inhibitor of the SARS-CoV-2-S protein:ACE2 complex |
|
| 3.4.17.23 | glycyrrhizinate |
binding affinity -11.75 kcal/mol, favorable binding modes, critical interactions, and pharmaceutical properties |
|
| 3.4.17.23 | hesperidin |
inhibition of the ACE2 enzyme; inhibitor of SARS-CoV-2-(receptor binding domain):ACE2 complex |
|
| 3.4.17.23 | hispudulin |
inhibition of the ACE2 enzyme |
|
| 3.4.17.23 | hydroxychloroquine |
docks at the active site of the Human ACE2 receptor as a possible way of inhibition; malaria drug hydroxychloroquine docks at the active site of the human ACE2 receptor as a possible way of inhibition, with a docking score and glide energy of -6.34 and -49.34 kcal/mol, respectively. Hydroxychloroquine forms two hydrogen bond interactions with active site amino acids of Asp367 and Asn277 at distances of 2.65 A and 2.85 A, respectively. In addition, pi-pi interactions are also observed from the active site of His345, and ionic interactions are found with Lys363 |
|
| 3.4.17.23 | hydroxychloroquine |
potential inhibitor of the SARS-CoV-2-S protein:ACE2 complex |
|
| 3.4.17.23 | hypericin |
potential inhibitor of the SARS-CoV-2-S protein:ACE2 complex |
|
