Table 2.
Predicted ACE-inhibitory activity and physicochemical properties identified in S. maclurei protein hydrolysates by LC–ESI–MS/MS and screening in silico.
| Peptide | Theo. MH+ (Da) | B (μM) | ALC (%) |
SVMS | Prediction | Hydrophobicity | Net Hydrogen | Calculated pI | Solvation | IC50 (μM) on ACE-Inhibitory Activity |
|---|---|---|---|---|---|---|---|---|---|---|
| RVLSAAFNTR | 1134.42 | ND | 93 | −1.19 | Non-AHT | −0.24 | 1.20 | 12.01 | 0.28 | ND |
| IMNILEK | 860.16 | 0.0012 | 77 | −0.46 | Non-AHT | −0.02 | 0.71 | 6.35 | 0.88 | ND |
| GGVQAIR | 699.90 | 0.0333 | 71 | −0.86 | Non-AHT | −0.09 | 0.86 | 10.11 | 0.25 | ND |
| KAALMEK | 790.07 | ND | 75 | −1.20 | Non-AHT | −0.22 | 0.71 | 8.94 | 0.53 | ND |
| GVFDGPCGT | 852.05 | ND | 80 | −0.43 | Non-AHT | 0.08 | 0.22 | 3.80 | 0.52 | ND |
| SGVFDGPCGT | 939.14 | ND | 81 | −0.35 | Non-AHT | 0.04 | 0.30 | 3.80 | 0.47 | ND |
| QNIGDPR | 798.94 | 0.0016 | 77 | −0.27 | Non-AHT | −0.43 | 1.29 | 6.19 | −0.15 | ND |
| AYSSGVSFK | 945.15 | 0.0044 | 73 | −0.80 | Non-AHT | −0.03 | 0.67 | 8.94 | 0.61 | ND |
| RWDISQPY | 1063.47 | 0.0016 | 91 | 0.34 | AHT | −0.30 | 1.25 | 6.19 | 0.47 | 72.24 |
| LVYIVQGR | 947.25 | 0.0012 | 78 | −0.74 | Non-AHT | 0.01 | 0.88 | 9.10 | 0.76 | ND |
| KPGGSGR | 657.82 | 0.0733 | 70 | −0.10 | Non-AHT | −0.39 | 1.00 | 11.01 | −0.21 | ND |
| LGLSAKNYGR | 1078.36 | 0.0008 | 77 | −0.68 | Non-AHT | −0.21 | 1.00 | 10.01 | 0.28 | ND |
| KEAWLIEK | 1016.31 | 0.0411 | 90 | −0.75 | Non-AHT | −0.20 | 0.88 | 6.49 | 0.55 | ND |
| REVADDK | 831.96 | 0.0007 | 74 | −0.02 | Non-AHT | −0.59 | 1.29 | 4.56 | −0.52 | ND |
| ENFFFAGIDK | 1187.44 | ND | 87 | −0.69 | Non-AHT | −0.01 | 0.60 | 4.38 | 0.63 | ND |
| QEMVDK | 748.93 | ND | 73 | −0.10 | Non-AHT | −0.39 | 1.00 | 4.38 | 0.19 | ND |
| EEEEEEQQQ | 1177.23 | 0.0372 | 79 | −0.30 | Non-AHT | −0.64 | 1.33 | 3.46 | −0.58 | ND |
Abbreviations: B, the potential ACE-inhibitory activity calculated using published data in the BIOPEP databases; ALC, average local confidence; AHT, antihypertension; SVMS, vector machine software score. The physicochemical properties were theoretically calculated by the AHTPDB databases.