Table 5.
Predicted bonds between interacting atoms of diiodohydroxyquinoline and RdRp of SARS-CoV-2.
| S. No. | Amino acid | Amino acid atom | Diiodohydroxyquinoline atom | Distance | Nature of interaction |
|---|---|---|---|---|---|
| 1 | HIS133 | H-Donor | N4(H-Acceptor) | 2.22 | Hydrogen bond |
| 2 | ASN705 | H-Acceptor | H-Donor | 3.23 | Hydrogen bond |
| 3 | HIS133 | H-Donor | Pi-Orbital | 2.89 | Hydrogen bond |
| 4 | LEU240 | C–H | Pi-Orbital | 3.79 | Hydrophobic(Pi-Sigma) |
| 5 | ALA125 | Alkyl | I2(Alkyl) | 4.19 | Hydrophobic(Alkyl) |
| 6 | LEU207 | Alkyl | I2(Alkyl) | 4.92 | Hydrophobic(Alkyl) |
| 7 | LEU240 | Alkyl | I2(Alkyl) | 4.73 | Hydrophobic(Alkyl) |
| 8 | TYR728 | Pi-Orbital | I1(Alkyl) | 5.14 | Hydrophobic(Pi-Alkyl) |