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AMR Drug RepurposingSmart Screeningresearch prototype

Dolutegravir Sodium

FDA-approved product (tablet, oral), marketed as Tivicay, Tivicay Pd.

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

Chemical structure

Chemical structure of Dolutegravir Sodium
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

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

WHO therapeutic group
Integrase inhibitors
Anti-infective classification
Classified as another kind of anti-infective (for example an antifungal, antiviral or antiparasitic medicine).WHO ATC J05AJ03

Repurposing investigation

This medicine is being investigated here for AI-predicted antimicrobial activity against E. coli, MRSA, K. pneumoniae 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
  • MRSA61.4% AI-predicted activityAt or above the ≥40% mark this site uses to surface candidates.
  • E. coli55.9% AI-predicted activityAt or above the ≥40% mark this site uses to surface candidates.
  • K. pneumoniae47.9% AI-predicted activityAt or above the ≥40% mark this site uses to surface candidates.
  • M. tuberculosis64.2% 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 Dolutegravir Sodium in ChEMBL Registered studies below

Docking

Computational · nothing measured

Dihydrofolate reductase ↗ (E. coli)

-9.9 kcal/mol

0better fit →-12

KPC-2 carbapenemase ↗ (K. pneumoniae)

-8.8 kcal/mol

0better fit →-12

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

-10.3 kcal/mol

0better fit →-12

Dihydrofolate reductase ↗ (MRSA)

-9.5 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 Dolutegravir Sodium 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.

  • A Multipart, Open-label Study to Evaluate the Safety and Efficacy of ABT-450/r/ABT-267 With and Without ABT-333 Coadministered With and Without Ribavirin in Adult With Genotype 1 or 4 Hepatitis C Virus (HCV) Infection and Human Immunodeficiency Virus, Type 1 Coinfection

    NCT01939197 · start 2013-08-30

    Registered record
    Registry ID
    NCT01939197
    Conditions
    Hepatitis C Virus Infection; Human Immunodeficiency Virus Infection; Chronic Hepatitis C; Compensated Cirrhosis and Non-cirrhotics
    Interventions
    ABT-450/r/ABT-267; ABT-333; ribavirin
    Study type
    INTERVENTIONAL
    Phase
    Phase 2 / Phase 3
    Registry status
    Completed
    Start
    2013-08-30
    Completion
    2016-10-25
    Enrolment
    318

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

    ConditionHepatitis C Virus Infection; Human Immunodeficiency Virus Infection; Chronic Hepatitis C; Compensated Cirrhosis and Non-cirrhotics
    InterventionABT-450/r/ABT-267; ABT-333; ribavirin
    PhasePhase 2 / Phase 3
    Registry statusCompleted

  • Evaluation of the Bioequivalence of a Combined Formulated Tablet

    NCT01622790 · start 2012-06

    Registered record
    Registry ID
    NCT01622790
    Conditions
    Infection, Human Immunodeficiency Virus
    Interventions
    Dolutegravir 50 mg/abacavir 600 mg/lamivudine 300 mg; Dolutegravir 50 mg; abacavir 600 mg/lamivudine 300 mg
    Study type
    INTERVENTIONAL
    Phase
    Phase 1
    Registry status
    Completed
    Start
    2012-06
    Completion
    2012-08
    Enrolment
    66

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

    ConditionInfection, Human Immunodeficiency Virus
    InterventionDolutegravir 50 mg/abacavir 600 mg/lamivudine 300 mg; Dolutegravir 50 mg; abacavir 600 mg/lamivudine 300 mg
    PhasePhase 1
    Registry statusCompleted

  • Dolutegravir Compared to Darunavir/Ritonavir , Each in Combination With Dual Nucleoside Reverse Transcriptase Inhibitors (NRTIs) in ART-naive Subjects

    NCT01449929 · start 2011-10-31

    Registered record
    Registry ID
    NCT01449929
    Conditions
    Infection, Human Immunodeficiency Virus
    Interventions
    dolutegravir 50 mg OAD; darunavir 800mg OAD; ritonavir 100mg OAD
    Study type
    INTERVENTIONAL
    Phase
    Phase 3
    Registry status
    Completed
    Start
    2011-10-31
    Completion
    2016-12-26
    Enrolment
    488

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

    ConditionInfection, Human Immunodeficiency Virus
    Interventiondolutegravir 50 mg OAD; darunavir 800mg OAD; ritonavir 100mg OAD
    PhasePhase 3
    Registry statusCompleted

  • GSK1349572 Drug Interaction With Etravirine and Either Darunavir/Ritonavir or Lopinavir/Ritonavir

    NCT00867152 · start 2009-04

    Registered record
    Registry ID
    NCT00867152
    Conditions
    Healthy Volunteer
    Interventions
    Darunavir; Etravirine; Ritonavir; Lopinavir/ritonavir; GSK1349572
    Study type
    INTERVENTIONAL
    Phase
    Phase 1
    Registry status
    Completed
    Start
    2009-04
    Completion
    2009-05
    Enrolment
    17

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

    ConditionHealthy Volunteer
    InterventionDarunavir; Etravirine; Ritonavir; Lopinavir/ritonavir +1 more
    PhasePhase 1
    Registry statusCompleted

  • GSK1349572 Drug Interaction Study With Atazanavir/Ritonavir and Atazanavir

    NCT00883935 · start 2009-04

    Registered record
    Registry ID
    NCT00883935
    Conditions
    Healthy Volunteer
    Interventions
    GSK1349572; Atazanavir 300 mg; Atazanavir 400 mg; Ritonavir
    Study type
    INTERVENTIONAL
    Phase
    Phase 1
    Registry status
    Completed
    Start
    2009-04
    Completion
    2009-06
    Enrolment
    24

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

    ConditionHealthy Volunteer
    InterventionGSK1349572; Atazanavir 300 mg; Atazanavir 400 mg; Ritonavir
    PhasePhase 1
    Registry statusCompleted