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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
  1. The different developmental stages of the parasite during its lifecycle in human are represented as: Sp sporozoite, R ring, T trophozoite, Sc schizont, M merozoite, G gametocyte. Tick symbols indicate up-regulated expression of the protein