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AMR Drug RepurposingSmart Screeningresearch prototype

Saquinavir

FDA-approved product (capsule, oral), marketed as Fortovase, Invirase.

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

Chemical structure

Chemical structure of Saquinavir
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
  • 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 J05AE01

Repurposing investigation

This medicine is being investigated here for AI-predicted antimicrobial activity against E. coli, 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
  • MRSA51.4% AI-predicted activityAt or above the ≥40% mark this site uses to surface candidates.
  • E. coli49.4% AI-predicted activityAt or above the ≥40% mark this site uses to surface candidates.
  • K. pneumoniae33.9% AI-predicted activityBelow the ≥40% mark this site uses to surface candidates.
  • M. tuberculosis71.5% 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 Saquinavir 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 Saquinavir 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.

  • Interaction With HIV Antiretroviral Agents

    NCT02556268 · start 2016-02-23

    Registered record
    Registry ID
    NCT02556268
    Conditions
    HIV-DDI
    Interventions
    Riociguat (Adempas, BAY 63-2521); ATRIPLA; COMPLERA; STRIBILD; TRIUMEQ; Antiretroviral protease inhibitor
    Study type
    INTERVENTIONAL
    Phase
    Phase 1
    Registry status
    Completed
    Start
    2016-02-23
    Completion
    2016-12-07
    Enrolment
    40

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

    ConditionHIV-DDI
    InterventionRiociguat (Adempas, BAY 63-2521); ATRIPLA; COMPLERA; STRIBILD +2 more
    PhasePhase 1
    Registry statusCompleted

  • Study to Evaluate Switching to Elvitegravir/Cobicistat/Emtricitabine/Tenofovir Alafenamide (E/C/F/TAF) Fixed Dose Combination (FDC) in Virologically-Suppressed HIV-1 Infected Adults Harboring the Archived Isolated NRTI Resistance Mutation M184V/M184I

    NCT02616029 · start 2015-12-17

    Registered record
    Registry ID
    NCT02616029
    Conditions
    HIV-1 Infection
    Interventions
    E/C/F/TAF
    Study type
    INTERVENTIONAL
    Phase
    Phase 3
    Registry status
    Completed
    Start
    2015-12-17
    Completion
    2019-07-11
    Enrolment
    66

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

    ConditionHIV-1 Infection
    InterventionE/C/F/TAF
    PhasePhase 3
    Registry statusCompleted

  • Safety and Efficacy of Switching From Regimens of ABC/3TC + a 3rd Agent to E/C/F/TAF Fixed-Dose Combination (FDC) in Virologically-Suppressed HIV 1 Infected Adults

    NCT02605954 · start 2015-11-18

    Registered record
    Registry ID
    NCT02605954
    Conditions
    HIV-1 Infection
    Interventions
    E/C/F/TAF; ABC/3TC; Third Antiretroviral Agent
    Study type
    INTERVENTIONAL
    Phase
    Phase 3
    Registry status
    Completed
    Start
    2015-11-18
    Completion
    2018-01-24
    Enrolment
    275

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

    ConditionHIV-1 Infection
    InterventionE/C/F/TAF; ABC/3TC; Third Antiretroviral Agent
    PhasePhase 3
    Registry statusCompleted

  • Trial to Evaluate the Interest of a Reductive Anti Retroviral Strategy Using Dual Therapy Inspite of Triple Therapy

    NCT02302547 · start 2014-12

    Registered record
    Registry ID
    NCT02302547
    Conditions
    HIV
    Interventions
    triple therapy; dual therapy
    Study type
    INTERVENTIONAL
    Phase
    Phase 3
    Registry status
    Completed
    Start
    2014-12
    Completion
    2018-09-21
    Enrolment
    224

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

    ConditionHIV
    Interventiontriple therapy; dual therapy
    PhasePhase 3
    Registry statusCompleted

  • Study of Cobicistat-Boosted Atazanavir (ATV/co), Cobicistat-Boosted Darunavir (DRV/co) and Emtricitabine/Tenofovir Alafenamide (F/TAF) in Children With HIV

    NCT02016924 · start 2014-01-16

    Registered record
    Registry ID
    NCT02016924
    Conditions
    Acquired Immune Deficiency Syndrome (AIDS); HIV Infections
    Interventions
    ATV; DRV; Cobicistat; BR; F/TAF; LPV/r; Third Unboosted Drug; Cobicistat TOS; F/TAF TOS
    Study type
    INTERVENTIONAL
    Phase
    Phase 2 / Phase 3
    Registry status
    Active not recruiting
    Start
    2014-01-16
    Completion
    2027-03
    Enrolment
    133

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

    ConditionAcquired Immune Deficiency Syndrome (AIDS); HIV Infections
    InterventionATV; DRV; Cobicistat; BR +5 more
    PhasePhase 2 / Phase 3
    Registry statusActive not recruiting

  • A Study of Ritonavir-Boosted Invirase (Saquinavir) in Treatment-Naïve HIV-1 Infected Patients

    NCT01638650 · start 2012-01

    Registered record
    Registry ID
    NCT01638650
    Conditions
    HIV Infections
    Interventions
    Nucleoside Reverse Transcriptase Inhibitor (NRTIs); ritonavir; saquinavir [Invirase]
    Study type
    INTERVENTIONAL
    Phase
    Phase 1
    Registry status
    Completed
    Start
    2012-01
    Completion
    2012-06
    Enrolment
    23

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

    ConditionHIV Infections
    InterventionNucleoside Reverse Transcriptase Inhibitor (NRTIs); ritonavir; saquinavir [Invirase]
    PhasePhase 1
    Registry statusCompleted

  • Study to Evaluate Switching From Regimens Consisting of a Ritonavir-boosted Protease Inhibitor (PI) and Two Nucleoside Reverse Transcriptase Inhibitors (NRTIs) to a Fixed-dose Tablet Containing Emtricitabine/Rilpivirine/Tenofovir DF

    NCT01252940 · start 2010-11

    Registered record
    Registry ID
    NCT01252940
    Conditions
    HIV-1 Infection
    Interventions
    FTC/RPV/TDF; PI; RTV; NRTIs
    Study type
    INTERVENTIONAL
    Phase
    Phase 3
    Registry status
    Completed
    Start
    2010-11
    Completion
    2014-10
    Enrolment
    482

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

    ConditionHIV-1 Infection
    InterventionFTC/RPV/TDF; PI; RTV; NRTIs
    PhasePhase 3
    Registry statusCompleted

  • Observational Study on Predictors of Response to Invirase (Saquinavir) Treatment in Treatment-naïve Patients With HIV Infection

    NCT01297127 · start 2010-08

    Registered record
    Registry ID
    NCT01297127
    Conditions
    HIV Infections
    Interventions
    Not recorded
    Study type
    OBSERVATIONAL
    Phase
    Not recorded
    Registry status
    Completed
    Start
    2010-08
    Completion
    2013-09
    Enrolment
    151

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

    ConditionHIV Infections
    InterventionNot recorded
    PhaseNot recorded
    Registry statusCompleted

  • Pharmacokinetics, Safety And Toleration Of Maraviroc Administered To Subjects With Various Degrees Of Renal Impaired And Normal Renal Function

    NCT00717067 · start 2008-07

    Registered record
    Registry ID
    NCT00717067
    Conditions
    Human Immunodeficiency Virus (HIV) Infection
    Interventions
    Maraviroc; Maraviroc; Ritonavir; Saquinavir; Maraviroc; Ritonavir; Saquinavir; Maraviroc; Ritonavir; Saquinavir; Maraviroc; Maraviroc; Maraviroc
    Study type
    INTERVENTIONAL
    Phase
    Phase 4
    Registry status
    Completed
    Start
    2008-07
    Completion
    2008-11
    Enrolment
    30

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

    ConditionHuman Immunodeficiency Virus (HIV) Infection
    InterventionMaraviroc; Maraviroc; Ritonavir; Saquinavir +9 more
    PhasePhase 4
    Registry statusCompleted

  • Pharmacokinetics of Low Dose Ritonavir

    NCT00622206 · start 2008-01

    Registered record
    Registry ID
    NCT00622206
    Conditions
    HIV Infections
    Interventions
    ritonavir and saquinavir
    Study type
    INTERVENTIONAL
    Phase
    Phase 1 / Phase 2
    Registry status
    Completed
    Start
    2008-01
    Completion
    2008-08
    Enrolment
    20

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

    ConditionHIV Infections
    Interventionritonavir and saquinavir
    PhasePhase 1 / Phase 2
    Registry statusCompleted

  • Clinical Trial of CNS-targeted HAART (CIT2)

    NCT00624195 · start 2007-03

    Registered record
    Registry ID
    NCT00624195
    Conditions
    HIV Infections
    Interventions
    FDA Approved Antiretroviral Therapy (see list below)
    Study type
    INTERVENTIONAL
    Phase
    Phase 2 / Phase 3
    Registry status
    Completed
    Start
    2007-03
    Completion
    2012-06
    Enrolment
    59

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

    ConditionHIV Infections
    InterventionFDA Approved Antiretroviral Therapy (see list below)
    PhasePhase 2 / Phase 3
    Registry statusCompleted

  • A Study of Saquinavir/Ritonavir in Liver-Impaired Patients With HIV Infection.

    NCT00435929 · start 2006-09

    Registered record
    Registry ID
    NCT00435929
    Conditions
    HIV Infections
    Interventions
    Ritonavir; saquinavir [Invirase]
    Study type
    INTERVENTIONAL
    Phase
    Phase 1
    Registry status
    Completed
    Start
    2006-09
    Completion
    2009-11
    Enrolment
    16

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

    ConditionHIV Infections
    InterventionRitonavir; saquinavir [Invirase]
    PhasePhase 1
    Registry statusCompleted

  • BASIC: Boosted Atazanavir or Saquinavir Induced Lipid Changes

    NCT00389402 · start 2006-07

    Registered record
    Registry ID
    NCT00389402
    Conditions
    HIV Infections
    Interventions
    saquinavir/ritonavir; atazanavir/ritonavir
    Study type
    INTERVENTIONAL
    Phase
    Phase 4
    Registry status
    Completed
    Start
    2006-07
    Completion
    2008-07
    Enrolment
    120

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

    ConditionHIV Infections
    Interventionsaquinavir/ritonavir; atazanavir/ritonavir
    PhasePhase 4
    Registry statusCompleted

  • Study of Genetic Polymorphisms in Thai HIV-1 Infected Patients on SQV/r

    NCT00476502 · start 2006-02

    Registered record
    Registry ID
    NCT00476502
    Conditions
    HIV Infections
    Interventions
    identify genetic polymorphism in Thai HIV infected
    Study type
    OBSERVATIONAL
    Phase
    Not recorded
    Registry status
    Completed
    Start
    2006-02
    Completion
    2008-12
    Enrolment
    250

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

    ConditionHIV Infections
    Interventionidentify genetic polymorphism in Thai HIV infected
    PhaseNot recorded
    Registry statusCompleted

  • Dual Boosted Protease Inhibitor Regimens Without Any Additional Antiretroviral Therapy in HIV-1 Infected Patients (ANRS127)

    NCT00122603 · start 2005-12

    Registered record
    Registry ID
    NCT00122603
    Conditions
    HIV Infections
    Interventions
    Fosamprenavir; Saquinavir
    Study type
    INTERVENTIONAL
    Phase
    Phase 2
    Registry status
    Completed
    Start
    2005-12
    Completion
    2007-08
    Enrolment
    61

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

    ConditionHIV Infections
    InterventionFosamprenavir; Saquinavir
    PhasePhase 2
    Registry statusCompleted