TABLE 2.
MOA predictions for pure compounds and crude extractsa
| Sample type | MOA or compound dereplicated | Test compound or extract | Closest compound | Pearson correlation coefficient | Predicted MOA | Same as known MOA | Reported MOA of chemically dereplicated compound |
|---|---|---|---|---|---|---|---|
| References | RNA synthesis | RS.Rifapentine | RS.Rifampin | 0.71 | RS | Yes | |
| RS.Rifampin | RS.Rifapentine | 0.72 | RS | Yes | |||
| RS.Fidaxomicin | CW.Phosphomycin | 0.18 | CW | No | |||
| RS.ActinomycinD | RS.Rifapentine | 0.67 | RS | Yes | |||
| Protein synthesis | PS50.Thiostrepton | PS50.Retapamulin | 0.95 | PS | Yes | ||
| PS50.Retapamulin | PS50.Thiostrepton | 0.95 | PS | Yes | |||
| PS50.Linezolid | PS50.Thiostrepton | 0.93 | PS | Yes | |||
| PS50.Erythromycin | PS50.Chloramphenicol | 0.92 | PS | Yes | |||
| PS50.Chloramphenicol | PS50.Erythromycin | 0.92 | PS | Yes | |||
| PS30.Tetracycline | PS50.Erythromycin | 0.88 | PS | Yes | |||
| PS30.Doxycycline | PS50.Thiostrepton | 0.84 | PS | Yes | |||
| Fatty acid synthesis | FAS.Triclosan | FAS.Cerulenin | 0.71 | FAS | Yes | ||
| FAS.Isoniazid | FAS.Triclosan | 0.56 | FAS | Yes | |||
| FAS.Cerulenin | FAS.Triclosan | 0.76 | FAS | Yes | |||
| DNA synthesis | DS.Trimethoprim | PS30.Doxycycline | 0.72 | PS | No | ||
| DS.Sulfamethoxazole | DS.Metronidazole | 0.64 | DS | Yes | |||
| DS.Metronidazole | PS30.Doxycycline | 0.68 | PS | No | |||
| DS.Doxorubicin | DS.Trimethoprim | 0.54 | DS | Yes | |||
| DNA gyrase | DG.Novobiocin | RS.Rifapentine | 0.56 | RS | No | ||
| DG.Norfloxacin | DG.Ciprofloxacin | 0.92 | DG | Yes | |||
| DG.Nalidixic_acid | DG.Ciprofloxacin | 0.84 | DG | Yes | |||
| DG.Ciprofloxacin | DG.Norfloxacin | 0.92 | DG | Yes | |||
| Cell wall | CW.Vancomycin | CW.Ramoplanin | 0.90 | CW | Yes | ||
| CW.Teixobactin | CW.Meropenem | 0.85 | CW | Yes | |||
| CW.Ramoplanin | CW.Bacitracin | 0.95 | CW | Yes | |||
| CW.Phosphomycin | CW.Penicillin | 0.30 | CW | Yes | |||
| CW.Penicillin | CW.Vancomycin | 0.76 | CW | Yes | |||
| CW.Meropenem | CW.Flavomycin | 0.88 | CW | Yes | |||
| CW.Flavomycin | CW.Meropenem | 0.91 | CW | Yes | |||
| CW.Cycloserine | CW.Teixobactin | 0.47 | CW | Yes | |||
| CW.Ceftriaxone | CW.Cefotaxime | 0.84 | CW | Yes | |||
| CW.Cefotaxime | CW.Ceftriaxone | 0.85 | CW | Yes | |||
| CW.Bacitracin | CW.Ramoplanin | 0.95 | CW | Yes | |||
| Cell membrane | CM.Valinomycin | CM.Colistin | 0.57 | CM | Yes | ||
| CM.Polymyxin | CW.Penicillin | 0.69 | CW | No | |||
| CM.Monactin | RS.ActinomycinD | 0.65 | RS | No | |||
| CM.Colistin | CM.Valinomycin | 0.59 | CM | Yes | |||
| Crude extracts from antimicrobial-producing bacterial strains | Cell membrane | CM.VALINOMYCIN.producer | CM.Monactin | 0.88 | CM | Yes | |
| Cell wall | CW.BACITRACIN.producer | CM.Valinomycin | 0.75 | CM | No | ||
| CW.PENICILLIN.G.producer | CW.Vancomycin | 0.84 | CW | Yes | |||
| CW.TEIXOBACTIN.producer | CW.Teixobactin | 0.59 | CW | Yes | |||
| CW.VANCOMYCIN.producer | CM.Monactin | 0.86 | CM | No | |||
| DNA gyrase | DG.NOVOBIOCIN.producer | DG.Novobiocin | 0.84 | DG | Yes | ||
| Protein synthesis | PS50.CHLORAMPHENICOL.producer | PS50.Chloramphenicol | 0.73 | PS | Yes | ||
| PS.50.ERYTHROMYCIN.producer | PS50.Chloramphenicol | 0.78 | PS | Yes | |||
| RNA synthesis | RS.ACTINOMYCIN.D.producer | RS.ActinomycinD | 0.79 | RS | Yes | ||
| RS.Rifampin.producer | RS.Rifampin | 0.82 | RS | Yes | |||
| Crude extracts with a prior confirmed antimicrobial activity | Desotamide | NB_E_0263 | RS.ActinomycinD | 0.54 | RS | RS | |
| Streptonigrin | NB_E_0328 | DG.Ciprofloxacin | 0.4 | DG | DS | ||
| Nybomycin | NB_E_0196 | DS.Doxorubicin | 0.28 | DS | DG | ||
| LI-F05 series and Polymyxin | NB_E_0275 | FAS.Cerulenin | 0.49 | FAS | CM | ||
| Darobactin | ADC56 | CW.Penicillin | 0.66 | CW | CM |
a
Correlation-based prediction results for antimicrobial reference compounds by leave-one-compound-out cross-validation and correlation-based prediction results for crude extracts of antimicrobial-producing microbial strains.