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AMR Drug RepurposingSmart Screeningresearch prototype

Atazanavir Sulfate

FDA-approved product (capsule, oral), marketed as Atazanavir Sulfate, Reyataz.

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

Chemical structure

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

Existing / approved use

Documented · FDA, WHO, ChEMBL

Approved for

  • HIV infection
  • HIV-1 infection
  • Infection
  • Viral disease

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

WHO therapeutic group
Protease inhibitors
Anti-infective classification
Classified as another kind of anti-infective (for example an antifungal, antiviral or antiparasitic medicine).WHO ATC J05AE08

Repurposing investigation

This medicine is being investigated here for AI-predicted antimicrobial activity against MRSA, E. coli 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
  • MRSA49.2% AI-predicted activityAt or above the ≥40% mark this site uses to surface candidates.
  • E. coli48.0% AI-predicted activityAt or above the ≥40% mark this site uses to surface candidates.
  • K. pneumoniae20.4% AI-predicted activityBelow the ≥40% mark this site uses to surface candidates.
  • M. tuberculosis60.6% 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 Atazanavir Sulfate 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 Atazanavir Sulfate 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.

  • Pharmacokinetic Study of Antiretroviral Drugs and Related Drugs During and After Pregnancy

    NCT00042289 · start 2003-06-09

    Registered record
    Registry ID
    NCT00042289
    Conditions
    HIV Infections
    Interventions
    atazanavir/cobicistat; darunavir/ritonavir dosage #1; darunavir/ritonavir dosage #2; darunavir/ritonavir dosage #3; elvitegravir/cobicistat; dolutegravir; tenofovir alafenamide fumarate (TAF); TAF w/cobicistat; TAF w/cobicistat or ritonavir; efavirenz; darunavir/cobicistat; lopinavir/ritonavir dosage #1; atazanavir/ritonavir/tenofovir dosage #1; rifampicin; ethambutol; isoniazid; pyrazinamide; kanamycin; amikacin; capreomycin; moxifloxacin; levoflaxacin; ofloxacin; ethionamide/prothionamide; terizidone/cycloserine; para-aminosalicylic acid (PAS); high dose INH; bedaquiline; clofazamine; delamanid; linezolid; pretomanid; ethinyl estradiol; etonogestrel implant; nevirapine; amprenavir; abacavir; lopinavir/ritonavir dosage #2; indinavir/ritonavir dosage #1; fosamprenavir/ritonavir; lopinavir/ritonavir dosage #3; atazanavir/ritonavir dosage #1; didanosine delayed release (Videx® EC); emtricitabine; tenofovir; nelfinavir dosage #1; tipranavir/ritonavir; lopinavir/ritonavir dosage #4; ralteg
    Study type
    OBSERVATIONAL
    Phase
    Not recorded
    Registry status
    Completed
    Start
    2003-06-09
    Completion
    2020-09-30
    Enrolment
    1,578

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

    ConditionHIV Infections
    Interventionatazanavir/cobicistat; darunavir/ritonavir dosage #1; darunavir/ritonavir dosage #2; darunavir/ritonavir dosage #3 +45 more
    PhaseNot recorded
    Registry statusCompleted

  • Roll-Over Protocol To Provide Atv And/Or Truvada For Extended Access

    NCT01003990 · start 2002-10

    Registered record
    Registry ID
    NCT01003990
    Conditions
    HIV
    Interventions
    Atazanavir; Atazanavir/Ritonavir; Tenofovir/Emtricitabine; Lopinavir/ritonavir
    Study type
    INTERVENTIONAL
    Phase
    Phase 3
    Registry status
    Completed
    Start
    2002-10
    Completion
    2016-02
    Enrolment
    710

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

    ConditionHIV
    InterventionAtazanavir; Atazanavir/Ritonavir; Tenofovir/Emtricitabine; Lopinavir/ritonavir
    PhasePhase 3
    Registry statusCompleted

  • Atazanavir (BMS-232632) in Combination With Ritonavir or Saquinavir, and Lopinavir/Ritonavir, Each With Tenofovir and a Nucleoside in Subjects With HIV

    NCT00035932 · start 2001-11

    Registered record
    Registry ID
    NCT00035932
    Conditions
    HIV Infections
    Interventions
    Atazanavir + ritonavir + tenofovir + nucleoside; Atazanavir + saquinavir + tenofovir + nucleoside; Lopinavir/ritonavir + tenofovir + nucleoside
    Study type
    INTERVENTIONAL
    Phase
    Phase 3
    Registry status
    Completed
    Start
    2001-11
    Completion
    2009-03
    Enrolment
    571

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

    ConditionHIV Infections
    InterventionAtazanavir + ritonavir + tenofovir + nucleoside; Atazanavir + saquinavir + tenofovir + nucleoside; Lopinavir/ritonavir + tenofovir + nucleoside
    PhasePhase 3
    Registry statusCompleted

  • Atazanavir Versus Lopinavir/Ritonavir (LPV/RTV) in Patients Who Have Not Had Success With Protease Inhibitor-Containing HAART Regimen(s)

    NCT00028301 · start 2001-02

    Registered record
    Registry ID
    NCT00028301
    Conditions
    HIV Infections
    Interventions
    Atazanavir; Lopinavir/Ritonavir
    Study type
    INTERVENTIONAL
    Phase
    Phase 3
    Registry status
    Completed
    Start
    2001-02
    Completion
    2003-09
    Enrolment
    Not recorded

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

    ConditionHIV Infections
    InterventionAtazanavir; Lopinavir/Ritonavir
    PhasePhase 3
    Registry statusCompleted

  • Safety and Effectiveness of a Three-Drug Combination Treatment for Recently Infected or Converted HIV Patients

    NCT00007202

    Registered record
    Registry ID
    NCT00007202
    Conditions
    HIV Infections
    Interventions
    Atazanavir; Stavudine; Didanosine
    Study type
    INTERVENTIONAL
    Phase
    Phase 2
    Registry status
    Completed
    Start
    Not recorded
    Completion
    2006-10
    Enrolment
    55

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

    ConditionHIV Infections
    InterventionAtazanavir; Stavudine; Didanosine
    PhasePhase 2
    Registry statusCompleted