Table 4.
Predicted bonds between interacting atoms of cetilistat and RdRp of SARS-CoV-2.
| S. No. | Amino acid | Amino acid atom | Cetilistat atom | Distance | Nature of interaction |
|---|---|---|---|---|---|
| 1 | HIS133 | H-Donor | O3(H-Acceptor) | 2.17 | Hydrogen bond |
| 2 | LEU240 | C–H | Pi-Orbital | 3.61 | Hydrophobic(Pi-Sigma) |
| 3 | LEU240 | C–H | Pi-Orbital | 3.54 | Hydrophobic(Pi-Sigma) |
| 4 | LEU708 | Alkyl | C29(Alkyl) | 4.09 | Hydrophobic(Alkyl) |
| 5 | LEU708 | Alkyl | Pi-Orbital | 5.32 | Hydrophobic(Pi-Alkyl) |
| 6 | HIS725 | Pi-Orbital | C20(Alkyl) | 4.70 | Hydrophobic(Pi-Alkyl) |
| 7 | TYR728 | Pi-Orbital | C20(Alkyl) | 4.85 | Hydrophobic(Pi-Alkyl) |