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AMR Drug RepurposingSmart Screeningresearch prototype

Esomeprazole Sodium

FDA-approved product (injectable, intravenous), marketed as Esomeprazole Magnesium, Nexium, Nexium 24hr and 3 more.

Registered studies
46
Lab records
0
Pathogens at ≥40%
1 of 4

Chemical structure

Chemical structure of Esomeprazole Sodium
A drawing shows what the molecule is, not what it does.

Existing / approved use

Documented · FDA, WHO, ChEMBL

Approved for

  • Ankylosing spondylitis
  • Duodenal ulcer
  • Esophagitis
  • Gastric ulcer
  • Gastroesophageal reflux disease
  • Osteoarthritis
  • Rheumatoid arthritis
  • Zollinger-Ellison Syndrome

Indications ChEMBL records as approved, from FDA and DailyMed labels. Label ↗

WHO therapeutic group
Proton pump inhibitors
Anti-infective classification
Not classified as an anti-infective.

Repurposing investigation

This medicine is being investigated here for AI-predicted antimicrobial activity against E. coli. It was surfaced computationally for further investigation; it is not an established treatment for this infection.

AI-predicted activity

AI prediction · nothing measured
  • MRSA34.8% AI-predicted activityBelow the ≥40% mark this site uses to surface candidates.
  • E. coli43.3% AI-predicted activityAt or above the ≥40% mark this site uses to surface candidates.
  • K. pneumoniae12.6% AI-predicted activityBelow the ≥40% mark this site uses to surface candidates.
  • M. tuberculosis30.0% AI-predicted activityBelow 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 evidence

Clinical

46registered studies name this medicine, for any condition. See them below.

Experimental

No evidence found

No laboratory measurement against the four pathogens in the ChEMBL records loaded here.

Open Esomeprazole Sodium in ChEMBL Registered studies below

Docking

Computational · nothing measured

Dihydrofolate 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 measured

Other repurposing candidates: approved medicines besides Esomeprazole 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.

Registered studies

A registration describes a study; it does not establish a positive result.

  • Study Comparing Esomeprazole Associated With Sodium Bicarbonate From Eurofarma and Esomeprazole in Treatment of Gastroesophageal Reflux Disease ESOBIC

    NCT01471925

    Registered record
    Registry ID
    NCT01471925
    Conditions
    Gastroesophageal Reflux Disease
    Interventions
    Nexium®; Esomeprazol (40mg) + Sodium Bicarbonate (721mg)
    Study type
    INTERVENTIONAL
    Phase
    Phase 3
    Registry status
    Withdrawn
    Start
    Not recorded
    Completion
    Not recorded
    Enrolment
    0

    As stored from ClinicalTrials.gov. Registration describes a study; it does not mean the study worked.

    ConditionGastroesophageal Reflux Disease
    InterventionNexium®; Esomeprazol (40mg) + Sodium Bicarbonate (721mg)
    PhasePhase 3
    Registry statusWithdrawn