TABLE 2.
List of protein targets predicted for nifuroxazide using the reverse pharmacophore approach with PharmMapper and similarity by Basic Local Alignment Search Tool
| PharmMapper results |
BLAST results |
||||||||
|---|---|---|---|---|---|---|---|---|---|
| Target | No. of features | Fit score | Z score | Corresponding target in S. mansoni | Max scorea | Query cover (%)b | E valuec | Identity (%)d | |
| PMID | Name | ||||||||
| 2VTI | Cell division protein kinase 2 | 7 | 4.674 | 5.40965 | Serine/threonine kinase | 374 | 98 | 4e-128 | 60.54 |
| 1U4O | l-lactate dehydrogenase | 5 | 3.897 | 4.31237 | Putative l-lactate dehydrogenase | 132 | 84 | 8e-35 | 28.25 |
| 1WBS | Mitogen-activated protein kinase 14 | 7 | 3.969 | 3.79749 | Serine/threonine kinase | 305 | 95 | 1e-100 | 45.43 |
| 1J4H | Peptidyl-prolyl cis-trans isomerase FKBP1A | 9 | 4.173 | 3.50129 | Putative immunophillin FK506 binding protein FKBP12 | 152 | 99 | 3e-48 | 66.98 |
| 1G45 | Carbonic anhydrase 2 | 5 | 3.72 | 3.4792 | Putative carbonic anhydrase II | 196 | 98 | 3e-61 | 40.23 |
| 1CXV | Collagenase 3 | 7 | 3.906 | 3.05545 | Matrix metallopeptidase-7 (M10 family) | 132 | 95 | 2e-36 | 45.78 |
a
Max score, the highest alignment score calculated from the sum of the rewards for matched nucleotides or amino acids and penalties for mismatches and gaps.
b
Query cover, the percentage of the query sequence (our specimen) that overlaps the reference sequence.
c
E value, the number of expected hits of similar quality (score) that could be found just by chance.
d
Identity, the number of matching bases over the number of alignment columns (64).