Table 2.
Interactions of amino acid residues of the main protease of SARS-CoV-2 (PDB ID: 6LU7) with DIZE and candesartan using PLIP.
| Amino Acids of Mpro Involved and Distance of Interactions (Å) | ||||
|---|---|---|---|---|
| Type of Interaction | DIZE | Candesartan | ||
| Hydrogen Bonds | Met49 | 2.15 | His163 | 2.00 |
| Tyr54 | 2.58 | Met165 | 3.51 | |
| Phe140 | 2.11 | His172 | 3.49 | |
| Asn142 | 2.20 | |||
| His164 | 2.00 | |||
| His172 | 3.27 | |||
| Gln189 | 3.44 | |||
| Hydrophobic Interactions | His41 | 3.90 | Met165 | 3.20 |
| Met165 | 3.91 | Leu167 | 3.82 | |
| Glu166 | 3.58 | Pro168 | 3.78 | |
| Gln192 | 3.64 | |||
| π-stacking (Stacking Type P) | His41 | 4.20 | - | |
| π-stacking (Stacking Type T) | - | His163 | 3.97 | |