Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Mycobacterium smegmatis | DNA gyrase subunit B | Starlite/ChEMBL | References |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Trichomonas vaginalis | conserved hypothetical protein | 0.0057 | 0.0529 | 1 |
Echinococcus granulosus | dihydrofolate reductase | 0.0429 | 1 | 1 |
Mycobacterium ulcerans | DNA gyrase subunit B | 0.0153 | 0.2982 | 0.1099 |
Toxoplasma gondii | ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein | 0.0088 | 0.134 | 0.1901 |
Echinococcus multilocularis | thymidylate synthase | 0.0119 | 0.2115 | 0.2115 |
Wolbachia endosymbiont of Brugia malayi | DNA gyrase, topoisomerase II, B subunit, GyrB | 0.0153 | 0.2982 | 0.5 |
Plasmodium vivax | DNA gyrase subunit B, putative | 0.0153 | 0.2982 | 0.4231 |
Mycobacterium tuberculosis | Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) | 0.0429 | 1 | 1 |
Brugia malayi | Dihydrofolate reductase | 0.0429 | 1 | 1 |
Onchocerca volvulus | 0.0119 | 0.2115 | 1 | |
Plasmodium falciparum | bifunctional dihydrofolate reductase-thymidylate synthase | 0.0313 | 0.7048 | 1 |
Trypanosoma cruzi | mitochondrial DNA topoisomerase II, putative | 0.0088 | 0.134 | 0.1243 |
Echinococcus granulosus | thymidylate synthase | 0.0119 | 0.2115 | 0.2115 |
Mycobacterium tuberculosis | DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) | 0.0153 | 0.2982 | 0.2589 |
Schistosoma mansoni | dihydrofolate reductase | 0.0429 | 1 | 1 |
Plasmodium vivax | bifunctional dihydrofolate reductase-thymidylate synthase, putative | 0.0313 | 0.7048 | 1 |
Mycobacterium leprae | DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) | 0.0429 | 1 | 1 |
Brugia malayi | hypothetical protein | 0.0057 | 0.0529 | 0.0529 |
Mycobacterium ulcerans | dihydrofolate reductase DfrA | 0.0429 | 1 | 1 |
Loa Loa (eye worm) | thymidylate synthase | 0.0119 | 0.2115 | 0.2115 |
Loa Loa (eye worm) | dihydrofolate reductase | 0.0429 | 1 | 1 |
Chlamydia trachomatis | DNA gyrase subunit B | 0.0153 | 0.2982 | 0.1603 |
Schistosoma mansoni | bifunctional dihydrofolate reductase-thymidylate synthase | 0.0119 | 0.2115 | 0.2115 |
Trypanosoma brucei | dihydrofolate reductase-thymidylate synthase | 0.0313 | 0.7048 | 1 |
Plasmodium falciparum | DNA gyrase subunit B | 0.0153 | 0.2982 | 0.4231 |
Entamoeba histolytica | DNA topoisomerase II, putative | 0.0036 | 0 | 0.5 |
Treponema pallidum | DNA gyrase, subunit B (gyrB) | 0.0153 | 0.2982 | 0.5 |
Mycobacterium leprae | PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) | 0.0119 | 0.2115 | 0.176 |
Chlamydia trachomatis | dihydrofolate reductase | 0.0429 | 1 | 1 |
Trypanosoma cruzi | dihydrofolate reductase-thymidylate synthase | 0.0313 | 0.7048 | 1 |
Mycobacterium tuberculosis | Probable thymidylate synthase ThyA (ts) (TSASE) | 0.0119 | 0.2115 | 0.1674 |
Brugia malayi | thymidylate synthase | 0.0119 | 0.2115 | 0.2115 |
Toxoplasma gondii | bifunctional dihydrofolate reductase-thymidylate synthase | 0.0313 | 0.7048 | 1 |
Leishmania major | dihydrofolate reductase-thymidylate synthase | 0.0313 | 0.7048 | 1 |
Trypanosoma cruzi | mitochondrial DNA topoisomerase II, putative | 0.0088 | 0.134 | 0.1243 |
Echinococcus multilocularis | dihydrofolate reductase | 0.0429 | 1 | 1 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
IC50 (binding) | = 16.63 uM | Inhibition of 6-His-tagged Mycobacterium smegmatis GyrB expressed in Escherichia coli BL21 (DE3) pLysS cells incubated for 100 mins in presence of ATP by malachite green dye based ATP assay | ChEMBL. | 25129171 |
Inhibition (ADMET) | = 53.04 % | Cytotoxicity against mouse RAW264.7 cells assessed as inhibition of cell viability at 100 uM after 48 hrs by MTT assay | ChEMBL. | 25129171 |
MIC (functional) | = 19.8 uM | Antibacterial activity against Mycobacterium tuberculosis H37Rv after 7 days by microplate alamar blue assay method | ChEMBL. | 25129171 |
Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.