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AMR Drug RepurposingSmart Screeningresearch prototype

Atorvastatin Calcium

FDA-approved product (tablet, oral), marketed as Atorvaliq, Atorvastatin Calcium, Lipitor.

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

Chemical structure

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

Existing / approved use

Documented · FDA, WHO, ChEMBL

Approved for

  • Abnormal circulating lipid concentration
  • Acute myocardial infarction
  • Angina pectoris
  • Cardiovascular disease
  • Congestive heart failure
  • Coronary artery disease
  • Familial hypercholesterolemia
  • Heart failure
  • Hypercholesterolemia
  • Hyperlipidemia
  • Hypertension
  • Myocardial infarction
  • Stroke

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

WHO therapeutic group
Hmg coa reductase inhibitors
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
  • MRSA41.8% AI-predicted activityAt or above the ≥40% mark this site uses to surface candidates.
  • E. coli25.0% AI-predicted activityBelow the ≥40% mark this site uses to surface candidates.
  • K. pneumoniae15.5% AI-predicted activityBelow the ≥40% mark this site uses to surface candidates.
  • M. tuberculosis61.2% 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

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 Atorvastatin Calcium 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 Atorvastatin Calcium 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.

  • DISCOVERY Asia - Crestor in Type IIa and IIb Hypercholesteremia

    NCT00241488 · start 2003-06

    Registered record
    Registry ID
    NCT00241488
    Conditions
    Hypercholesterolemia
    Interventions
    Rosuvastatin
    Study type
    INTERVENTIONAL
    Phase
    Phase 3
    Registry status
    Completed
    Start
    2003-06
    Completion
    2007-02
    Enrolment
    1,362

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

    ConditionHypercholesterolemia
    InterventionRosuvastatin
    PhasePhase 3
    Registry statusCompleted

  • Effect of Gemcabene on the Pharmacokinetics of Atorvastatin in Healthy Volunteers

    NCT02587416 · start 2002-11

    Registered record
    Registry ID
    NCT02587416
    Conditions
    Hypercholesteremia
    Interventions
    Gemcabene 300 mg; Gemcabene 900 mg; Atorvastatin
    Study type
    INTERVENTIONAL
    Phase
    Phase 1
    Registry status
    Completed
    Start
    2002-11
    Completion
    2002-12
    Enrolment
    20

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

    ConditionHypercholesteremia
    InterventionGemcabene 300 mg; Gemcabene 900 mg; Atorvastatin
    PhasePhase 1
    Registry statusCompleted

  • Pediatric Kidney Transplant Without Calcineurin Inhibitors

    NCT00023231 · start 2001-02

    Registered record
    Registry ID
    NCT00023231
    Conditions
    End-Stage Renal Disease
    Interventions
    Daclizumab; Methylprednisolone/prednisone; Mycophenolate mofetil; Sirolimus; Bactrim; Ganciclovir; Lipitor
    Study type
    INTERVENTIONAL
    Phase
    Not applicable
    Registry status
    Completed
    Start
    2001-02
    Completion
    2006-08
    Enrolment
    35

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

    ConditionEnd-Stage Renal Disease
    InterventionDaclizumab; Methylprednisolone/prednisone; Mycophenolate mofetil; Sirolimus +3 more
    PhaseNot applicable
    Registry statusCompleted

  • An Efficacy and Safety Study of Ezetimibe (MK-0653, SCH 58235) in Addition to Atorvastatin Compared to Placebo in Participants With Primary Hypercholesterolemia (MK-0653-013)

    NCT03867110 · start 2000-03-06

    Registered record
    Registry ID
    NCT03867110
    Conditions
    Hypercholesterolemia
    Interventions
    Placebo; Ezetimibe 10 mg; Atorvastatin 10 mg; Atorvastatin 20 mg; Atorvastatin 40 mg; Atorvastatin 80 mg
    Study type
    INTERVENTIONAL
    Phase
    Phase 3
    Registry status
    Completed
    Start
    2000-03-06
    Completion
    2001-07-27
    Enrolment
    628

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

    ConditionHypercholesterolemia
    InterventionPlacebo; Ezetimibe 10 mg; Atorvastatin 10 mg; Atorvastatin 20 mg +2 more
    PhasePhase 3
    Registry statusCompleted

  • The Inhibition of Platelet Antiaggregating Activity of Clopidogrel by Atorvastatin Detected by Erythromycin Breath Test: a Metabolic Inhibition of Hepatic Cytochrome P450-3A

    NCT00004564

    Registered record
    Registry ID
    NCT00004564
    Conditions
    Hypercholesterolemia; Thrombosis
    Interventions
    Clopidogrel; Atorvastatin
    Study type
    INTERVENTIONAL
    Phase
    Not applicable
    Registry status
    Unknown
    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.

    ConditionHypercholesterolemia; Thrombosis
    InterventionClopidogrel; Atorvastatin
    PhaseNot applicable
    Registry statusUnknown