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.
- Anileridine PhosphateExisting use: Opioid anesthetics44.0% AI-predicted activityagainst E. coliNo documented evidence found
- RelugolixExisting use: Metastatic prostate cancer, Neoplasm, Prostate adenocarcinoma and 1 more43.9% AI-predicted activityagainst E. coli50+ registered studies
- ZuranoloneExisting use: Depressive disorder, Major depressive disorder, Postpartum depression43.8% AI-predicted activityagainst E. coli17 registered studies
- Rezafungin AcetateExisting use: Candidemia, Candidiasis, Candidiasis, Invasive43.8% AI-predicted activityagainst E. coli5 registered studies
- Naldemedine TosylateExisting use: Constipation, Constipation disorder43.7% AI-predicted activityagainst E. coli1 registered study
- Vorapaxar SulfateExisting use: Myocardial infarction, Peripheral arterial disease, Recurrent thrombophlebitis and 1 more43.7% AI-predicted activityagainst E. coli15 registered studies
- Asciminib HydrochlorideExisting use: Blast Phase Chronic Myelogenous Leukemia, BCR-ABL1 Positive, Chronic myelogenous leukemia, Neoplasm43.7% AI-predicted activityagainst E. coliNo documented evidence found
- InavolisibExisting use: Breast cancer, Breast neoplasm43.7% AI-predicted activityagainst E. coli36 registered studies
- Landiolol HydrochlorideExisting use: Atrial fibrillation, Atrial flutter, Supraventricular tachycardia43.7% AI-predicted activityagainst E. coli6 registered studies
- AvacopanExisting use: Anti-neutrophil antibody associated vasculitis, Anti-neutrophil cytoplasmic antibody-associated vasculitis, Granulomatosis with Polyangiitis and 1 more43.6% AI-predicted activityagainst E. coli26 registered studies
- Nefazodone HydrochlorideExisting use: Major depressive disorder43.6% AI-predicted activityagainst E. coli6 registered studies
- FlumazenilExisting use: Antidotes43.6% AI-predicted activityagainst E. coli50+ 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.