Simeprevir Sodium
FDA-approved product (capsule, oral), marketed as Olysio.
- Registered studies
- 0
- Lab records
- 0
- Pathogens at ≥40%
- 4 of 4
Chemical structure
Existing / approved use
Documented · FDA, WHO, ChEMBLApproved for
- Chronic hepatitis C virus infection
Indications ChEMBL records as approved, from FDA and DailyMed labels. Label ↗
- WHO therapeutic group
- Antivirals for treatment of hcv infections
- Anti-infective classification
- Classified as another kind of anti-infective (for example an antifungal, antiviral or antiparasitic medicine).WHO ATC J05AP05
Repurposing investigation
This medicine is being investigated here for AI-predicted antimicrobial activity against E. coli, MRSA, K. pneumoniae and M. tuberculosis. It was surfaced computationally for further investigation; it is not an established treatment for these infections.
AI-predicted activity
AI prediction · nothing measured- MRSA68.6% AI-predicted activityAt or above the ≥40% mark this site uses to surface candidates.
- E. coli53.2% AI-predicted activityAt or above the ≥40% mark this site uses to surface candidates.
- K. pneumoniae47.3% AI-predicted activityAt or above the ≥40% mark this site uses to surface candidates.
- M. tuberculosis55.4% AI-predicted activityAt or above the ≥40% mark this site uses to surface candidates.
A model’s estimate of laboratory activity against each pathogen species. It is not clinical effectiveness.
Evidence
Clinical and experimental
Documented evidenceClinical
No evidence found
The registry was searched and no registered study names this medicine.
Experimental
No evidence found
No laboratory measurement against the four pathogens in the ChEMBL records loaded here.
Docking
Computational · nothing measuredDihydrofolate reductase ↗ (E. coli)
Not yet docked: queued in the docking rundetails
KPC-2 carbapenemase ↗ (K. pneumoniae)
Not yet docked: queued in the docking rundetails
Enoyl-ACP reductase (InhA) ↗ (M. tuberculosis)
Not yet docked: queued in the docking rundetails
Dihydrofolate reductase ↗ (MRSA)
Not yet docked: queued in the docking rundetails
AutoDock Vina, one experimentally solved protein per pathogen. This project’s screening target is -7.0 kcal/mol, its own mark rather than a universal cutoff. A docking score is a structural hypothesis, not proof of binding, and requires experimental validation.
Other medicines to investigate
AI prediction · nothing measuredOther repurposing candidates: approved medicines besides Simeprevir Sodium with AI-predicted activity ≥40% against the chosen pathogen, leaving out existing antimicrobials. They are computational candidates for further investigation, not alternatives and not recommendations.
Sorted by AI-predicted activity, high to low. The order is not a ranking of which medicine is better.
- Trimetrexate GlucuronateExisting use: Other agents against amoebiasis and other protozoal diseases88.6% AI-predicted activityagainst E. coliLab records exist17 registered studies
- Folic AcidExisting use: Acne, Anemia, Anemia (phenotype) and 8 more87.0% AI-predicted activityagainst E. coliLab records exist50+ registered studies
- MethotrexateExisting use: Acute lymphoblastic leukemia, Adenoma, Arthritis and 21 more86.8% AI-predicted activityagainst E. coliLab records exist50+ registered studies
- PralatrexateExisting use: Cancer, Mature T-cell and NK-cell non-Hodgkin lymphoma, Neoplasm and 2 more82.2% AI-predicted activityagainst E. coli44 registered studies
- TriclosanExisting use: Phenol and derivatives, Medicated dressings with antiinfectives81.0% AI-predicted activityagainst E. coliLab records exist50+ registered studies
- Leucovorin CalciumExisting use: Osteosarcoma67.6% AI-predicted activityagainst E. coli50+ registered studies
- LevoleucovorinExisting use: Anemia, Colorectal adenocarcinoma, Colorectal cancer and 3 more67.6% AI-predicted activityagainst E. coli50+ registered studies
- PyrimethamineExisting use: Malaria, Toxoplasmosis64.6% AI-predicted activityagainst E. coliLab records exist50+ registered studies
- Copanlisib DihydrochlorideExisting use: Follicular lymphoma, Neoplasm, Neoplasm of mature B-cells63.5% AI-predicted activityagainst E. coli10 registered studies
- AfamelanotideExisting use: Erythropoietic protoporphyria62.6% AI-predicted activityagainst E. coli23 registered studies
- Rimegepant SulfateExisting use: Migraine disorder61.6% AI-predicted activityagainst E. coli50+ registered studies
- Histrelin AcetateExisting use: Neoplasm, Prostate adenocarcinoma, Prostate cancer61.6% AI-predicted activityagainst E. coli13 registered studies
Registered studies
A registration describes a study; it does not establish a positive result.
No evidence found: the registry was searched and no registered study names this medicine.