Research Article
[Retracted] Exploration of ACE-Inhibiting Peptides Encrypted in Artemisia annua Using In Silico Approach
Table 5
In silico drug-likeness assessment illustrating the antihypertensive peptide ADMET profile.
| | Physicochemical properties | Toxicity | Lipophilicity | Drug-likeness | Pharmacokinetics | Mol. wt. (g/mol) | ROTB () | HBA () | HBD () | ESOL log S | ToxinPred (SVM score) | TPSA (Å) | ClogPo/w | Bioavailability score | Lipinski filer | GIA | P-glycoprotein substrate | CYP3A4 inhibitor |
| Rule | <500 | <10 | <10 | <5 | — | — | <140 | <5 | — | — | — | — | — | AF | 236.27 | 6 | 4 | 3 | 0.39 (HS) | Nontoxic -0.8 | 92.42 | 0.05 | 0.55 | Yes (0) | High | No | No | FG | 222.24 | 6 | 4 | 3 | 0.48 (HS) | Nontoxic -0.8 | 92.42 | -0.16 | 0.55 | Yes (0) | High | No | No | FP | 262.3 | 5 | 4 | 3 | -0.51 (VS) | Nontoxic -0.8 | 83.63 | 0.32 | 0.55 | Yes (0) | High | No | No | FR | 321.37 | 11 | 5 | 6 | 0.79 (HS) | Nontoxic -0.8 | 154.32 | -0.66 | 0.55 | Yes (1) | Low | No | No | FY | 328.36 | 8 | 5 | 4 | -0.66 (VS) | Nontoxic -0.8 | 112.65 | 0.83 | 0.55 | Yes (0) | High | No | No | GW | 261.28 | 6 | 4 | 4 | 0.23 (HS) | Nontoxic -0.8 | 108.21 | -0.18 | 0.55 | Yes (0) | High | No | No | LW | 317.38 | 8 | 4 | 4 | -0.18 (VS) | Nontoxic -0.79 | 108.21 | 1.09 | 0.55 | Yes (0) | High | No | No | MW | 335.42 | 9 | 4 | 4 | -0.67 (VS) | Nontoxic -0.8 | 133.51 | 0.86 | 0.55 | Yes (0) | High | Yes | No | RF | 321.37 | 11 | 5 | 6 | 0.77 (HS) | Nontoxic -0.8 | 154.32 | -0.59 | 0.55 | Yes (1) | Low | No | No | RW | 360.41 | 11 | 5 | 7 | 0.26 (HS) | Nontoxic -0.8 | 170.11 | -0.44 | 0.55 | Yes (1) | Low | No | No | WG | 261.28 | 6 | 4 | 4 | -0.11 (VS) | Nontoxic -0.8 | 108.21 | 0.08 | 0.55 | Yes (0) | High | No | No | WL | 317.38 | 8 | 4 | 4 | -1.11 (VS) | Nontoxic -0.8 | 108.21 | 1.13 | 0.55 | Yes (0) | High | Yes | No | YF | 328.36 | 8 | 5 | 4 | -0.66 (VS) | Nontoxic -0.8 | 112.65 | 0.78 | 0.55 | Yes (0) | High | No | No | CF | 268.33 | 7 | 4 | 3 | 0.32 (HS) | Nontoxic -0.79 | 131.22 | -0.02 | 0.55 | Yes (0) | High | No | No | GF | 222.24 | 6 | 4 | 3 | 0.32 (HS) | Nontoxic -0.8 | 92.42 | -0.23 | 0.55 | Yes (0) | High | No | No | MF | 296.39 | 9 | 4 | 3 | -0.25 (VS) | Nontoxic -0.8 | 117.72 | 0.72 | 0.55 | Yes (0) | High | No | No | Captopril | 217.29 | 4 | 3 | 1 | -1.14 (VS) | | 96.41 | 0.62 | 0.56 | Yes (0) | High | No | No |
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