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AMR Drug RepurposingSmart Screeningresearch prototype

Digitoxin

FDA-approved product (injectable, injection), marketed as Crystodigin.

Registered studies
3
Lab records
0
Pathogens at ≥40%
2 of 4

Chemical structure

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

Existing / approved use

Documented · FDA, WHO, ChEMBL

Approved for

  • Cardiovascular disease

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

WHO therapeutic group
Digitalis glycosides
Anti-infective classification
Not classified as an anti-infective.

Repurposing investigation

This medicine is being investigated here for AI-predicted antimicrobial activity against M. tuberculosis and MRSA. It was surfaced computationally for further investigation; it is not an established treatment for these infections.

AI-predicted activity

AI prediction · nothing measured
  • MRSA57.5% AI-predicted activityAt or above the ≥40% mark this site uses to surface candidates.
  • E. coli30.2% AI-predicted activityBelow the ≥40% mark this site uses to surface candidates.
  • K. pneumoniae32.7% AI-predicted activityBelow the ≥40% mark this site uses to surface candidates.
  • M. tuberculosis44.4% 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 evidence

Clinical

3registered 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 Digitoxin 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 Digitoxin 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.

  • A Digimed Oncology PharmacoTherapy Registry

    NCT04088955 · start 2019-09-06

    Registered record
    Registry ID
    NCT04088955
    Conditions
    Colon Cancer; Breast Cancer; Rectal Cancer
    Interventions
    DigiMeds
    Study type
    OBSERVATIONAL
    Phase
    Not recorded
    Registry status
    Unknown
    Start
    2019-09-06
    Completion
    2022-03
    Enrolment
    500

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

    ConditionColon Cancer; Breast Cancer; Rectal Cancer
    InterventionDigiMeds
    PhaseNot recorded
    Registry statusUnknown

  • Phase II Study of Digitoxin to Treat Cystic Fibrosis

    NCT00782288 · start 2010-08

    Registered record
    Registry ID
    NCT00782288
    Conditions
    Cystic Fibrosis
    Interventions
    digitoxin; digitoxin; placebo
    Study type
    INTERVENTIONAL
    Phase
    Phase 2
    Registry status
    Completed
    Start
    2010-08
    Completion
    2016-08
    Enrolment
    24

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

    ConditionCystic Fibrosis
    Interventiondigitoxin; digitoxin; placebo
    PhasePhase 2
    Registry statusCompleted

  • CP4071 in Treating Patients With Locally Advanced or Metastatic Soft Tissue Sarcoma

    NCT00017446 · start 2000-10

    Registered record
    Registry ID
    NCT00017446
    Conditions
    Sarcoma
    Interventions
    CP4071
    Study type
    INTERVENTIONAL
    Phase
    Phase 2
    Registry status
    Unknown
    Start
    2000-10
    Completion
    Not recorded
    Enrolment
    Not recorded

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

    ConditionSarcoma
    InterventionCP4071
    PhasePhase 2
    Registry statusUnknown