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AMR Drug RepurposingSmart Screeningresearch prototype

Simvastatin

FDA-approved product (tablet, oral), marketed as Flolipid, Simvastatin, Zocor.

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

Chemical structure

Chemical structure of Simvastatin
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
  • Cardiovascular disease
  • Coronary artery disease
  • Familial hypercholesterolemia
  • Hypercholesterolemia
  • Hyperlipidemia
  • Myocardial infarction
  • Stroke

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

WHO therapeutic group
Hmg coa reductase inhibitors
FDA pharmacologic class
HMG-CoA Reductase Inhibitor FDA label ↗
Anti-infective classification
Not classified as an anti-infective.

Repurposing investigation

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

AI-predicted activity

AI prediction · nothing measured
  • MRSA56.8% AI-predicted activityAt or above the ≥40% mark this site uses to surface candidates.
  • E. coli36.3% AI-predicted activityBelow the ≥40% mark this site uses to surface candidates.
  • K. pneumoniae31.8% AI-predicted activityBelow the ≥40% mark this site uses to surface candidates.
  • M. tuberculosis42.7% 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 Simvastatin in ChEMBL Registered studies below

Docking

Computational · nothing measured

Dihydrofolate reductase ↗ (E. coli)

-7.6 kcal/mol

0better fit →-12

KPC-2 carbapenemase ↗ (K. pneumoniae)

-7.1 kcal/mol

0better fit →-12

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

-7.4 kcal/mol

0better fit →-12

Dihydrofolate reductase ↗ (MRSA)

-7.7 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 Simvastatin 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.

  • Effects of Statins on Pro- and Antioxidant Status : Link With Statin-Associated Myopathy.

    NCT00285181 · start 2005-11

    Registered record
    Registry ID
    NCT00285181
    Conditions
    Healthy
    Interventions
    Simvastatin
    Study type
    INTERVENTIONAL
    Phase
    Not applicable
    Registry status
    Completed
    Start
    2005-11
    Completion
    2007-04
    Enrolment
    24

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

    ConditionHealthy
    InterventionSimvastatin
    PhaseNot applicable
    Registry statusCompleted

  • Bioequivalence Study of Simvastatin Tablets, 80 mg of Dr. Reddy's Under Fed Conditions

    NCT01167933 · start 2005-01

    Registered record
    Registry ID
    NCT01167933
    Conditions
    Healthy
    Interventions
    Simvastatin
    Study type
    INTERVENTIONAL
    Phase
    Phase 1
    Registry status
    Completed
    Start
    2005-01
    Completion
    2005-04
    Enrolment
    44

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

    ConditionHealthy
    InterventionSimvastatin
    PhasePhase 1
    Registry statusCompleted

  • Effects on NF-κB Activity: High Dose Simvastatin Versus Combination Therapy With Ezetimibe

    NCT01424891 · start 2004-04

    Registered record
    Registry ID
    NCT01424891
    Conditions
    Type 2 Diabetes; Inflammation
    Interventions
    Simvastatin 80 mg; Sim10/Eze10; Placebo
    Study type
    INTERVENTIONAL
    Phase
    Not applicable
    Registry status
    Completed
    Start
    2004-04
    Completion
    2011-08
    Enrolment
    31

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

    ConditionType 2 Diabetes; Inflammation
    InterventionSimvastatin 80 mg; Sim10/Eze10; Placebo
    PhaseNot applicable
    Registry statusCompleted

  • Carotid Atherosclerosis Regression at Magnetic Resonance Assessment.

    NCT00307307 · start 2000-01

    Registered record
    Registry ID
    NCT00307307
    Conditions
    Established Carotid Atherosclerosis
    Interventions
    Niacin/simvastatin compared to simvastatin alone at 2 doses
    Study type
    INTERVENTIONAL
    Phase
    Phase 4
    Registry status
    Completed
    Start
    2000-01
    Completion
    2005-09
    Enrolment
    69

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

    ConditionEstablished Carotid Atherosclerosis
    InterventionNiacin/simvastatin compared to simvastatin alone at 2 doses
    PhasePhase 4
    Registry statusCompleted

  • Drugs for High Blood Pressure and High Cholesterol in American Indians With Type 2 Diabetes

    NCT00004266 · start 1993-08

    Registered record
    Registry ID
    NCT00004266
    Conditions
    Diabetic Nephropathy
    Interventions
    Lisinopril; Nifedipine; Simvastatin
    Study type
    INTERVENTIONAL
    Phase
    Phase 3
    Registry status
    Completed
    Start
    1993-08
    Completion
    1999-07
    Enrolment
    160

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

    ConditionDiabetic Nephropathy
    InterventionLisinopril; Nifedipine; Simvastatin
    PhasePhase 3
    Registry statusCompleted