Table 2 Summary of predicted drug-target associations for two FDA-approved drugs, azelaic acid and mupirocin
From: Exploring anti-malarial potential of FDA approved drugs: an in silico approach
Gene ID | Protein description | Expression of proteins in different developmental stages | UniProt ID of related target | Protein description | Source organism | Seq. Identity (%) | Structural similarity, TM-score (cut-off >0.5) | Associated drug | |||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sp | R | T | Sc | M | G | ||||||||
PF3D7_0311200 | Valine-tRNA ligase | ✓ | ✓ | ✓ | ✓ | ✓ | × | P41972 | Isoleucine-tRNA ligase | Staphylococcus aureus | 20 | 0.82 | DB00410: Mupirocin |
PF3D7_0622800 | Leucine-tRNA ligase | × | ✓ | ✓ | × | ✓ | × | P41972 | Isoleucine-tRNA ligase | Staphylococcus aureus | 20 | 0.64 | DB00410: Mupirocin |
PF3D7_0828200 | Leucine-tRNA ligase | ✓ | × | ✓ | × | ✓ | ✓ | P41972 | Isoleucine-tRNA ligase | Staphylococcus aureus | 20 | 0.68 | DB00410: Mupirocin |
PF3D7_1005000 | Methionine-tRNA ligase | ✓ | ✓ | ✓ | × | ✓ | ✓ | P41972 | Isoleucine-tRNA ligase | Staphylococcus aureus | 22 | 0.97 | DB00410: Mupirocin |
PF3D7_1015200 | Cysteine-tRNA ligase | ✓ | ✓ | ✓ | ✓ | ✓ | ✓ | P41972 | Isoleucine-tRNA ligase | Staphylococcus aureus | 22 | 0.80 | DB00410: Mupirocin |
PF3D7_1034900 | Methionine-tRNA ligase | ✓ | ✓ | ✓ | ✓ | ✓ | × | P41972 | Isoleucine-tRNA ligase | Staphylococcus aureus | 24 | 0.77 | DB00410: Mupirocin |
PF3D7_1225100 | Isoleucine-tRNA ligase | ✓ | × | ✓ | ✓ | ✓ | ✓ | P41972 | Isoleucine-tRNA ligase | Staphylococcus aureus | 29 | 0.97 | DB00410: Mupirocin |
PF3D7_1332900 | Isoleucine-tRNA ligase | ✓ | ✓ | ✓ | ✓ | ✓ | ✓ | P41972 | Isoleucine-tRNA ligase | Staphylococcus aureus | 28 | 0.78 | DB00410: Mupirocin |
PF3D7_1461900 | Valine-tRNA ligase | ✓ | ✓ | ✓ | ✓ | ✓ | ✓ | P41972 | Isoleucine-tRNA ligase | Staphylococcus aureus | 25 | 0.75 | DB00410: Mupirocin |
PF3D7_0203900 | 5′-3′ exonuclease, N-terminal resolvase-like domain | × | × | ✓ | ✓ | × | × | P19821 | DNA polymerase I | Thermus aquaticus | 25 | 0.88 | DB00548: Azelaic acid |
PF3D7_0616800 | Malate:quinone oxidoreductase | ✓ | × | ✓ | ✓ | ✓ | ✓ | P66010 | Thioredoxin reductase | Staphylococcus aureus | 21 | 0.61 | DB00548: Azelaic acid |
PF3D7_0625300 | DNA polymerase I | × | × | ✓ | ✓ | × | ✓ | P00582 | DNA polymerase I | Escherichia coli | 23 | 0.93 | DB00548: Azelaic acid |
PF3D7_0720400 | Ferridoxin reductase-like | ✓ | × | ✓ | ✓ | ✓ | ✓ | P66010 | Thioredoxin reductase | Staphylococcus aureus | 20 | 0.64 | DB00548: Azelaic acid |
PF3D7_0815900 | Lipoamide dehydrogenase | ✓ | ✓ | ✓ | × | × | ✓ | P66010 | Thioredoxin reductase | Staphylococcus aureus | 22 | 0.67 | DB00548: Azelaic acid |
PF3D7_0915000 | Type-II NADH:ubiquinone oxidoreductase | × | × | ✓ | ✓ | ✓ | ✓ | P66010 | Thioredoxin reductase | Staphylococcus aureus | 20 | 0.63 | DB00548: Azelaic acid |
PF3D7_0923800 | Thioredoxin reductase | × | × | ✓ | ✓ | × | ✓ | P66010 | Thioredoxin reductase | Staphylococcus aureus | 24 | 0.67 | DB00548: Azelaic acid |
PF3D7_1034400 | Flavoprotein subunit of succinate dehydrogenase (SDHA) | ✓ | × | ✓ | ✓ | ✓ | ✓ | P66010 | Thioredoxin reductase | Staphylococcus aureus | 23 | 0.62 | DB00548: Azelaic acid |
PF3D7_1232200 | Dihydrolipoyl dehydrogenase, mitochondrial | ✓ | ✓ | ✓ | ✓ | ✓ | ✓ | P66010 | Thioredoxin reductase | Staphylococcus aureus | 21 | 0.67 | DB00548: Azelaic acid |
PF3D7_1411400 | Plastid replication-repair enzyme (PREX) | ✓ | × | ✓ | ✓ | ✓ | ✓ | P00582 | DNA polymerase I | Escherichia coli | 25 | 0.83 | DB00548: Azelaic acid |
PF3D7_1419800 | Glutathione reductase | ✓ | × | ✓ | ✓ | ✓ | ✓ | P66010 | Thioredoxin reductase | Staphylococcus aureus | 23 | 0.63 | DB00548: Azelaic acid |
PF3D7_1435300 | NAD(P)H-dependent glutamate synthase | ✓ | × | ✓ | ✓ | ✓ | ✓ | P66010 | Thioredoxin reductase | Staphylococcus aureus | 24 | 0.65 | DB00548: Azelaic acid |