Table 3.
Curcumin targets in Paracoccidioides brasiliensis predicted in silico
| PharmMapper | Blast/Uniprot | ||||
|---|---|---|---|---|---|
| Rank | PDB ID | Fit score | PADG | Protein | Per. Ident |
| Amino acid metabolism | |||||
| 7 | 2HZP | 2.459 | PADG_00349 | Kynureninase | 45.14% |
| 17 | 1D7C | 3.286 | PADG_02101 | Glutamine amidotransferase type-2 domain-containing protein | 48.15% |
| 81 | 3HBX | 2.71 | PADG_06319 | Glutamate decarboxylase | 56.53% |
| 81 | 3HBX | 2.71 | PADG_11803 | Glutamate decarboxylase | 46.04% |
| C-compound and carbohydrate metabolism | |||||
| 9 | 1EXV | 2.986 | PADG_02145 | Alpha-1,4 glucan phosphorylase | 50.12% |
| 22 | 1QKI | 2.118 | PADG_04200 | Glucose-6-phosphate 1-dehydrogenase | 49.19% |
| 85 | 1DOS | 2.671 | PADG_00668 | Fructose-bisphosphate aldolase | 53.98% |
| Lipid, fatty acid and isoprenoid metabolism | |||||
| 55 | 2PFF | 2.876 | PADG_00254 | Fatty acid synthase subunit alpha | 59.92% |
| Tricarboxylic acid pathway | |||||
| 25 | 3CDK | 2.984 | PADG_04939 | Succinyl-CoA:3-ketoacid-coenzyme A transferase | 51.97% |
| Glyoxylate cycle | |||||
| 30 | 1IGW | 2.959 | PADG_04709 | Isocitrate lyase | 42.02% |
| Defense and virulence | |||||
| 8 | 1ONF | 2.459 | PADG_02367 | Glycerol-3-phosphate dehydrogenase | 54.84% |
| 34 | 1MA1 | 2.941 | PADG_01755 | Superoxide dismutase | 44.04% |
| 64 | 1RSO | 2.817 | PADG_05941 | Phospholipase | 41.94% |
| 94 | 2A9E | 3.93 | PADG_00324 | Catalase | 54.79% |
| 94 | 2A9E | 3.93 | PADG_00225 | Catalase | 41.58% |
| 94 | 2A9E | 3.93 | PADG_04740 | Catalase | 40.66% |
| Cell cycle | |||||
| 39 | 1YF6 | 2.926 | PADG_06763 | Septum formation protein Maf | 50.00% |
| Transcription | |||||
| 19 | 2Z6E | 2.726 | PADG_01508 | U1 small nuclear ribonucleoprotein C | 45.65% |
| 21 | 2CV8 | 2.139 | PADG_12304 | tRNA-splicing endonuclease subunit Sen2 | 40.43% |
| 54 | 2Z7X | 2.878 | PADG_01576 | Glucose-repressible alcohol dehydrogenase transcriptional effector | 41.03% |
| Translation | |||||
| 29 | 2ZU6 | 2.963 | PADG_11711 | ATP-dependent RNA helicase eIF4A | 74.87% |
| 93 | 1P7O | 2.623 | PADG_03560 | Translation elongation factor Tu | 48.15% |
| Signal transduction | |||||
| 14 | 2G18 | 2.882 | PADG_06642 | STE/STE7 protein kinase | 42.31% |
| Nucleotide metabolism | |||||
| 15 | 1FCX | 2.875 | PADG_04803 | FAD-binding FR-type domain-containing protein | 42.86% |
| 72 | 1K44 | 2.787 | PADG_07524 | Nucleoside diphosphate kinase | 47.73% |
| Protein fate | |||||
| 28 | 1TG6 | 2.964 | PADG_04169 | ATP-dependent Clp protease proteolytic subunit | 59.04% |
| 31 | 2FXT | 2.958 | PADG_01853 | Mitochondrial import inner membrane translocase subunit TIM44 | 42.67% |
| Ribosome biogenesis | |||||
| 29 | 2ZU6 | 2.963 | PADG_05787 | ATP-dependent RNA helicase FAL1 | 69.97% |
| 29 | 2ZU6 | 2.963 | PADG_03283 | ATP-dependent RNA helicase DBP5 | 41.49% |
| 29 | 2ZU6 | 2.963 | PADG_05924 | ATP-dependent RNA helicase DHH1 | 40.92% |
| Uncharacterized protein | |||||
| 10 | 3CPR | 2.366 | PADG_12138 | Uncharacterized protein | 83.33% |
| 10 | 3CPR | 2.366 | PADG_03515 | Uncharacterized protein | 44.83% |
| 12 | 3GH8 | 2.907 | PADG_01104 | Uncharacterized protein | 40.74% |
| 16 | 2NR0 | 2.284 | PADG_07365 | Uncharacterized protein | 40.00% |
| 17 | 1D7C | 3.286 | PADG_03386 | Uncharacterized protein | 43.33% |
| 17 | 1D7C | 3.286 | PADG_03633 | Uncharacterized protein | 42.11% |
| 19 | 2Z6E | 2.726 | PADG_01772 | Uncharacterized protein | 41.67% |
| 33 | 2IF2 | 2.946 | PADG_07398 | Uncharacterized protein | 44.12% |
| 34 | 1MA1 | 2.941 | PADG_01263 | Uncharacterized protein | 41.67% |
| 61 | 2RMR | 2.834 | PADG_05214 | Uncharacterized protein | 52.38% |
| 61 | 2RMR | 2.834 | PADG_03864 | Uncharacterized protein | 47.83% |
| 61 | 2RMR | 2.834 | PADG_01852 | Uncharacterized protein | 46.88% |
| 61 | 2RMR | 2.834 | PADG_05741 | Uncharacterized protein | 40.00% |
| 64 | 1RSO | 2.817 | PADG_01098 | Uncharacterized protein | 45.24% |
| 66 | 2RFA | 2.808 | PADG_03495 | Uncharacterized protein | 62.50% |
| 66 | 2RFA | 2.808 | PADG_06137 | Uncharacterized protein | 46.51% |
| 83 | 2AA7 | 3.148 | PADG_00825 | Uncharacterized protein | 52.38% |
| 91 | 1FI6 | 2.639 | PADG_12437 | Uncharacterized protein | 40.85% |
| 94 | 2A9E | 3.93 | PADG_04926 | Uncharacterized protein | 48.00% |