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AMR Drug RepurposingSmart Screeningresearch prototype

Opicapone

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

Registered studies
49
Lab records
0
Pathogens at ≥40%
2 of 4

Chemical structure

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

Existing / approved use

Documented · FDA, WHO, ChEMBL

Approved for

  • Parkinson disease

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

WHO therapeutic group
Other dopaminergic agents
FDA pharmacologic class
Catechol-O-Methyltransferase 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 M. tuberculosis and MRSA. It was surfaced computationally for further investigation; it is not an established treatment for these infections.

AI-predicted activity

AI prediction · nothing measured
  • MRSA49.4% AI-predicted activityAt or above the ≥40% mark this site uses to surface candidates.
  • E. coli31.8% AI-predicted activityBelow the ≥40% mark this site uses to surface candidates.
  • K. pneumoniae24.2% AI-predicted activityBelow the ≥40% mark this site uses to surface candidates.
  • M. tuberculosis59.9% 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

49registered studies name this medicine, for any condition. See them below.

Experimental

No evidence found

No laboratory measurement against the four pathogens in the ChEMBL records loaded here.

Open Opicapone in ChEMBL Registered studies below

Docking

Computational · nothing measured

Dihydrofolate reductase ↗ (E. coli)

-8.3 kcal/mol

0better fit →-12

KPC-2 carbapenemase ↗ (K. pneumoniae)

-7.9 kcal/mol

0better fit →-12

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

-8.3 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 Opicapone 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-pharmacodynamic Interaction Between Three Different Single Doses of BIA 9-1067 and a Single-dose of Immediate-release Levodopa/Benserazide

    NCT02169895 · start 2008-09

    Registered record
    Registry ID
    NCT02169895
    Conditions
    Parkinson's Disease (PD)
    Interventions
    BIA 9-1067; Placebo; Prolopa®
    Study type
    INTERVENTIONAL
    Phase
    Phase 1
    Registry status
    Completed
    Start
    2008-09
    Completion
    2008-11
    Enrolment
    16

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

    ConditionParkinson's Disease (PD)
    InterventionBIA 9-1067; Placebo; Prolopa®
    PhasePhase 1
    Registry statusCompleted

  • Comparative Bioavailability Study of BIA 9-1067 25 mg Capsules

    NCT02071823 · start 2008-05

    Registered record
    Registry ID
    NCT02071823
    Conditions
    Parkinson
    Interventions
    BIA 9-1067
    Study type
    INTERVENTIONAL
    Phase
    Phase 1
    Registry status
    Completed
    Start
    2008-05
    Completion
    2008-06
    Enrolment
    12

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

    ConditionParkinson
    InterventionBIA 9-1067
    PhasePhase 1
    Registry statusCompleted

  • Tolerability, Pharmacokinetics and Pharmacodynamics of BIA 9-1067

    NCT02071810 · start 2008-04

    Registered record
    Registry ID
    NCT02071810
    Conditions
    Parkinson's Disease (PD)
    Interventions
    BIA 9-1067; Placebo
    Study type
    INTERVENTIONAL
    Phase
    Phase 1
    Registry status
    Completed
    Start
    2008-04
    Completion
    2008-09
    Enrolment
    34

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

    ConditionParkinson's Disease (PD)
    InterventionBIA 9-1067; Placebo
    PhasePhase 1
    Registry statusCompleted

  • A Single Oral Ascending Dose Study of BIA 9-1067 in Healthy Male Subjects

    NCT01520727 · start 2007-10

    Registered record
    Registry ID
    NCT01520727
    Conditions
    Parkinson Disease
    Interventions
    BIA 9-1067; Placebo
    Study type
    INTERVENTIONAL
    Phase
    Phase 1
    Registry status
    Completed
    Start
    2007-10
    Completion
    2009-04
    Enrolment
    64

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

    ConditionParkinson Disease
    InterventionBIA 9-1067; Placebo
    PhasePhase 1
    Registry statusCompleted