Research Article
[Retracted] Exploration of ACE-Inhibiting Peptides Encrypted in Artemisia annua Using In Silico Approach
Table 4
In the best docking pose of the ligand-receptor complex, hydrogen bonds and their distances (Å) with ACE residues are shown.
| ACE residues in H-bonding | Number of H-bonds and their corresponding distance (Å) | Captopril | FG | FP | AF | FR | FY | GW | LW | RF | RW | WG | MW | WL | YF | CF | GF | MF |
| THR144:OG1 | | 1 (2.7) | | 1 (2.1) | | | | | 1 (2.6) | | | 1 (3.7) | 1 (1.9) | | 1 (2.0) | 1 (2.0) | | TYR2:O | | | | | 2 (2.1, 2.3) | | | | | | | | | | | | | ASN70:OD1 | 1 (3.3) | | 1 (1.9) | | | | 1 (2.6) | | | 1 (1.9) | | | | | | | 1 (2.8) | LEU140:O | | | | 1 (3.0) | | | | 2 (2.9, 2.5) | | | | | 1 (2.7) | | 1 (2.6) | 1 (3.0) | 1 (3.7) | ILE73:O | | | | 1 (2.6) | | 1 (2.3) | | | | | | 1 (2.5) | | | | | | SER516:O | 2 (2.7, 2.9) | | | | 1 (2.3) | | | | | 1 (2.2) | | | | 1 (2.0) | | | 1 (3.3) | PHE1:O | 1 (2.1) | 1 (3.0) | | 1 (3.6) | | | | 1 (2.2) | | | | | | | 1 (3.3) | 1 (2.9) | | TRP2:O | | | | | | 1 (3.8) | | | | | 2 (3.4) | | | | | | | ARG1:O | | | | | | | | | 1 (2.8) | | | | | | | | | PRO515:O | | 1 (2.4) | | | | | | | | | | | | | | | | GLU143:OE1 | 1 (2.5) | | 1 (2.1) | | 1 (2.7) | | | | | | | | | | | | 1 (3.6) | LEU1:O | | | | | | | 1 (2.4) | | | | | 1 (3.6) | | | | | | THR75:O | | | | 1 (2.6) | | | | | 2 (2.4, 2.0) | | | | | 1 (2.0) | | | | TYR523:OH | | 1 (2.0) | | | | | | 1 (2.6) | | | | | | 1 (2.6) | | | | ASN66:OD1 | | | 1 (3.2) | | | | 1 (2.5) | | | 1 (3.0) | | | | | | | 1 (2.2) | SER78:OG | | | | | | | | | | | | 2 (2.3, 2.4) | 1 (2.5) | | 1 (2.5) | 2 (3.6, 2.8) | | TRP2:OXT | | | | 1 (3.8) | | 1 (3.0) | 1 (3.0) | | 1 (2.3) | | 1 (3.8) | | | | | | | HIS513:NE2 | 1 (2.4) | | 2 (2.5, 3.0) | | | | | 1 (2.1) | | | | | | | | | | ASP141:OD1 | | | | | | | | | | | | 1 (2.5) | | 1 (2.3) | | | | Total | 6 | 4 | 5 | 6 | 4 | 3 | 4 | 5 | 5 | 3 | 3 | 6 | 3 | 4 | 4 | 5 | 5 |
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