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AMR Drug RepurposingSmart Screeningresearch prototype

Darunavir

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

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

Chemical structure

Chemical structure of Darunavir
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
  • Immunodeficiency disease
  • Infection
  • Viral disease

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

WHO therapeutic group
Protease inhibitors
FDA pharmacologic class
Protease Inhibitor FDA label ↗
Anti-infective classification
Classified as another kind of anti-infective (for example an antifungal, antiviral or antiparasitic medicine).WHO ATC J05AE10

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
  • MRSA46.4% AI-predicted activityAt or above the ≥40% mark this site uses to surface candidates.
  • E. coli44.4% AI-predicted activityAt or above the ≥40% mark this site uses to surface candidates.
  • K. pneumoniae24.3% AI-predicted activityBelow the ≥40% mark this site uses to surface candidates.
  • M. tuberculosis65.6% 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 Darunavir 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 Darunavir 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.

  • TMC114-C209: A Study of Safety of TMC114 With Low Dose Ritonavir (RTV) and Other Antiretrovirals in Experienced HIV-1 Infected Patients With Limited or no Treatment Options

    NCT00115050 · start 2005-06

    Registered record
    Registry ID
    NCT00115050
    Conditions
    HIV Infections
    Interventions
    TMC114
    Study type
    INTERVENTIONAL
    Phase
    Phase 3
    Registry status
    Completed
    Start
    2005-06
    Completion
    2007-06
    Enrolment
    260

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

    ConditionHIV Infections
    InterventionTMC114
    PhasePhase 3
    Registry statusCompleted

  • TMC114-C214: Trial of TMC114 Administered With Low Dose Ritonavir (RTV) in HIV-1 Infected Treatment Experienced Patients

    NCT00110877 · start 2005-04

    Registered record
    Registry ID
    NCT00110877
    Conditions
    HIV Infection
    Interventions
    LPV/rtv; TMC114/rtv
    Study type
    INTERVENTIONAL
    Phase
    Phase 3
    Registry status
    Completed
    Start
    2005-04
    Completion
    2011-10
    Enrolment
    604

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

    ConditionHIV Infection
    InterventionLPV/rtv; TMC114/rtv
    PhasePhase 3
    Registry statusCompleted

  • TMC114-C202: A Study of Safety, Efficacy, and Tolerability of TMC114 and Low Dose Ritonavir in HIV-1 Infected Patients

    NCT00071097 · start 2003-10

    Registered record
    Registry ID
    NCT00071097
    Conditions
    HIV Infections
    Interventions
    TMC114/rtv; TMC114/rtv; TMC114/rtv; TMC114/rtv
    Study type
    INTERVENTIONAL
    Phase
    Phase 2
    Registry status
    Completed
    Start
    2003-10
    Completion
    2007-11
    Enrolment
    330

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

    ConditionHIV Infections
    InterventionTMC114/rtv; TMC114/rtv; TMC114/rtv; TMC114/rtv
    PhasePhase 2
    Registry statusCompleted

  • 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

  • TMC114-C201: A Study to Determine the Antiviral Activity of TMC114 in Patients With Multiple Protease Inhibitor (PI) Resistant Human Immunodeficiency Virus (HIV) Strains

    NCT00964327 · start 2001-08

    Registered record
    Registry ID
    NCT00964327
    Conditions
    HIV Infections
    Interventions
    TMC114
    Study type
    INTERVENTIONAL
    Phase
    Phase 2
    Registry status
    Completed
    Start
    2001-08
    Completion
    2003-10
    Enrolment
    42

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

    ConditionHIV Infections
    InterventionTMC114
    PhasePhase 2
    Registry statusCompleted