TABLE 1.
Compounds, their properties, and predicted MoA classes
| MoA class and compound | copt (μg/ml) | Solventa | Predictionb |
|---|---|---|---|
| Cell wall biosynthesis | |||
| Amoxicillin | 16 | DMSO | Folate |
| Cefalexin | 0.25 | 1 M NH4OH | Cell wall |
| Cefotaxime | 1 | Water | Cell wall |
| Cefoxitin | 0.5 | Water | Cell wall |
| Cycloserine | 16 | Water | Cell wall |
| Oxacillin | 0.25 | Water | Cell wall |
| Penicillin G | 4 | Water | Cell wall |
| Phosphomycin | 256 | Water | Cell wall |
| Ristocetin | 0.5 | DMSO | Cell wall |
| Vancomycin | 0.25 | Water | Cell wall |
| DNA topology | |||
| Ciprofloxacin | 0.5 | DMSO | Topo |
| Coumermycin A1 | 1 | DMSO | Membrane |
| Moxifloxacin | 0.25 | DMSO | Topo |
| Nalidixic acid | 8 | Water | Topo |
| Norfloxacin | 0.5 | DMSO | Topo |
| Novobiocin | 0.25 | Water | Topo |
| Fatty acid biosynthesis | |||
| Cerulenin | 4 | DMSO | Membrane |
| Triclosan | 1 | DMSO | Rejected |
| Folate biosynthesis | |||
| Dapsone | 64 | DMSO | Cell wall |
| Sulfacetamide | 64 | DMSO | Cell wall |
| Sulfamethizole | 1,024 | DMSO | Rejected |
| Trimethoprim | 1 | DMSO | Rejected |
| Membrane-active compounds and ionophoresc | |||
| Gramicidin A | 0.03 | DMSO | Membrane |
| Monensin | 0.125 | DMSO | Membrane |
| Nigericin | 0.008 | DMSO | Rejected |
| Nitrofurantoin | 2 | DMSO | Membrane |
| Polymyxin B | 64 | Water | Membrane |
| Triton X-114 | 64 | Water | Membrane |
| Protein biosynthesis | |||
| Chloramphenicol | 4 | DMSO | Protein |
| Clarithromycin | 0.25 | DMSO | Membrane |
| Clindamycin | 2 | Water | Protein |
| Erythromycin | 4 | DMSO | Protein |
| Fusidic acid | 0.06 | Water | Protein |
| Neomycin | 1 | Water | Protein |
| Puromycin | 64 | Water | Protein |
| Spectinomycin | 128 | Water | Protein |
| Tetracyclin | 0.5 | DMSO | Protein |
| Test compounds | |||
| Actinonin | 32 | DMSO | Rejected |
| Azaserine | 2 | Water | Topo |
| Doxorubicin | 16 | Water | Topo |
| Ethidium bromide | 1 | Water | Rejected |
| HCP | 0.03 | DMSO | Rejected |
| Hydrogen peroxide | 4 | Water | Topo |
| Rifampicin | 0.008 | DMSO | Rejected |
a
All compounds with the exception of sulfamethizole were added to the cultures from a 1,000× stock solution. Sulfamethizole was added from a 250× stock solution. DMSO, dimethyl sulfoxide.
b
For the reference compounds, prediction is the assignment in the cross validation (see Materials and Methods). For the test compounds, prediction is the prediction obtained by using the classifier trained with the complete reference data set. Topo, topoisomerase.
c
Ionophores and detergents were combined in the class membrane-active compounds in order to discriminate compounds with unspecific activity from compounds that act on specific protein targets.