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AMR Drug RepurposingSmart Screeningresearch prototype

Cholecalciferol

FDA-approved product (solution, intravenous).

Registered studies
50+
Lab records
0
Pathogens at ≥40%
1 of 4

Chemical structure

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

Existing / approved use

Documented · FDA, WHO, ChEMBL

Approved for

  • Anemia (phenotype)
  • Iron deficiency anemia
  • Osteoporosis

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

WHO therapeutic group
Vitamin d and analogues
Anti-infective classification
Not classified as an anti-infective.

Repurposing investigation

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

AI-predicted activity

AI prediction · nothing measured
  • MRSA51.5% AI-predicted activityAt or above the ≥40% mark this site uses to surface candidates.
  • E. coli23.5% AI-predicted activityBelow the ≥40% mark this site uses to surface candidates.
  • K. pneumoniae22.7% AI-predicted activityBelow the ≥40% mark this site uses to surface candidates.
  • M. tuberculosis35.6% 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

50+registered studies name this medicine, for any condition. The registry search keeps the first 50, so there may be more. See them below.

Experimental

No evidence found

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

Open Cholecalciferol in ChEMBL Registered studies below

Docking

Computational · nothing measured

Dihydrofolate reductase ↗ (E. coli)

-8.3 kcal/mol

0better fit →-12

KPC-2 carbapenemase ↗ (K. pneumoniae)

-6.8 kcal/mol

0better fit →-12

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

-9.1 kcal/mol

0better fit →-12

Dihydrofolate reductase ↗ (MRSA)

-9.2 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 Cholecalciferol 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.

  • Vitamin D Inadequacy in Rural Populations, Evaluation of Correction by Food Supplementation

    NCT00690417 · start 2007-08

    Registered record
    Registry ID
    NCT00690417
    Conditions
    Vitamin D Insufficiency; Vitamin D Deficiency
    Interventions
    Cholecalciferol (vitamin D3)
    Study type
    INTERVENTIONAL
    Phase
    Not applicable
    Registry status
    Completed
    Start
    2007-08
    Completion
    2011-08
    Enrolment
    108

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

    ConditionVitamin D Insufficiency; Vitamin D Deficiency
    InterventionCholecalciferol (vitamin D3)
    PhaseNot applicable
    Registry statusCompleted

  • Gene Expression Profile of Breast Cancer Samples After Vitamin D Supplementation

    NCT00926315 · start 2007-07

    Registered record
    Registry ID
    NCT00926315
    Conditions
    Breast Neoplasms; Postmenopausal Disorder
    Interventions
    calcitriol; Calcitriol
    Study type
    INTERVENTIONAL
    Phase
    Not applicable
    Registry status
    Unknown
    Start
    2007-07
    Completion
    2013-12
    Enrolment
    60

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

    ConditionBreast Neoplasms; Postmenopausal Disorder
    Interventioncalcitriol; Calcitriol
    PhaseNot applicable
    Registry statusUnknown

  • Evaluation of Colecalciferol Substitution in Dialysis Patients

    NCT00397475 · start 2006-11

    Registered record
    Registry ID
    NCT00397475
    Conditions
    RENAL INSUFFICIENCY, CHRONIC; Hyperparathyroidism, Secondary
    Interventions
    Colecalciferol
    Study type
    INTERVENTIONAL
    Phase
    Not applicable
    Registry status
    Completed
    Start
    2006-11
    Completion
    2007-03
    Enrolment
    50

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

    ConditionRENAL INSUFFICIENCY, CHRONIC; Hyperparathyroidism, Secondary
    InterventionColecalciferol
    PhaseNot applicable
    Registry statusCompleted

  • Vitamin D Deficiency: Bone Loss and Vascular Dysfunction

    NCT00235586 · start 2004-04

    Registered record
    Registry ID
    NCT00235586
    Conditions
    Postmenopausal Women
    Interventions
    10 vit. D deficient subjects take vit. D for 3 months.
    Study type
    INTERVENTIONAL
    Phase
    Not applicable
    Registry status
    Completed
    Start
    2004-04
    Completion
    2007-09
    Enrolment
    40

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

    ConditionPostmenopausal Women
    Intervention10 vit. D deficient subjects take vit. D for 3 months.
    PhaseNot applicable
    Registry statusCompleted

  • Efficacy of Calcitriol in Recent Onset Type 1 Diabetes

    NCT01120119

    Registered record
    Registry ID
    NCT01120119
    Conditions
    Diabetes Mellitus, Type 1
    Interventions
    Calcitriol
    Study type
    INTERVENTIONAL
    Phase
    Phase 2
    Registry status
    Completed
    Start
    Not recorded
    Completion
    Not recorded
    Enrolment
    Not recorded

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

    ConditionDiabetes Mellitus, Type 1
    InterventionCalcitriol
    PhasePhase 2
    Registry statusCompleted