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AMR Drug RepurposingSmart Screeningresearch prototype

Valdecoxib

FDA-approved product (tablet, oral), marketed as Bextra.

Registered studies
31
Lab records
1
Pathogens at ≥40%
1 of 4

Chemical structure

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

Existing / approved use

Documented · FDA, WHO, ChEMBL

Approved for

  • Dysmenorrhea
  • Osteoarthritis
  • Rheumatic disease
  • Rheumatoid arthritis

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

WHO therapeutic group
Coxibs
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. It was surfaced computationally for further investigation; it is not an established treatment for this infection.

AI-predicted activity

AI prediction · nothing measured
  • MRSA28.8% AI-predicted activityBelow the ≥40% mark this site uses to surface candidates.
  • E. coli16.9% AI-predicted activityBelow the ≥40% mark this site uses to surface candidates.
  • K. pneumoniae4.2% AI-predicted activityBelow the ≥40% mark this site uses to surface candidates.
  • M. tuberculosis88.6% AI-predicted activityAt or above the ≥40% mark this site uses to surface candidates. This medicine was in the model's training data, so this is recall, not a new prediction.

A model’s estimate of laboratory activity against each pathogen species. It is not clinical effectiveness.

Evidence

Clinical and experimental

Documented evidence

Clinical

31registered studies name this medicine, for any condition. See them below.

Experimental

  • M. tuberculosis: measured active in 1 of 1 lab record
Open Valdecoxib in ChEMBL Registered studies below
Show the 1 laboratory record, with sources

Loading records…

“Active” means the measured value reached this project’s laboratory cutoff (10 µM or stronger). A laboratory result does not show an effect in patients.

Docking

Computational · nothing measured

Dihydrofolate reductase ↗ (E. coli)

-8.1 kcal/mol

0better fit →-12

KPC-2 carbapenemase ↗ (K. pneumoniae)

-7.6 kcal/mol

0better fit →-12

Enoyl-ACP reductase (InhA) ↗ (M. tuberculosis)

-7.1 kcal/mol

0better fit →-12

Dihydrofolate reductase ↗ (MRSA)

-9.1 kcal/mol

0better fit →-12

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 Valdecoxib 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.

  • Valdecoxib in Treating Chronic Pain in Cancer Patients

    NCT00021996 · start 2001-01

    Registered record
    Registry ID
    NCT00021996
    Conditions
    Pain; Unspecified Adult Solid Tumor, Protocol Specific
    Interventions
    valdecoxib
    Study type
    INTERVENTIONAL
    Phase
    Not applicable
    Registry status
    Completed
    Start
    2001-01
    Completion
    2004-02
    Enrolment
    Not recorded

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

    ConditionPain; Unspecified Adult Solid Tumor, Protocol Specific
    Interventionvaldecoxib
    PhaseNot applicable
    Registry statusCompleted