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AMR Drug RepurposingSmart Screeningresearch prototype

Rocuronium Bromide

FDA-approved product (injectable, injection), marketed as Rocuronium Bromide, Zemuron.

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

Chemical structure

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

Existing / approved use

Documented · FDA, WHO, ChEMBL

No approved indication recorded

ChEMBL records no approved indication for Rocuronium Bromide. Its therapeutic class is shown instead.

WHO therapeutic group
Other quaternary ammonium compounds
Anti-infective classification
Not classified as an anti-infective.

Repurposing investigation

This medicine is being investigated here for AI-predicted antimicrobial activity against K. pneumoniae 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
  • MRSA59.1% AI-predicted activityAt or above the ≥40% mark this site uses to surface candidates.
  • E. coli35.9% AI-predicted activityBelow the ≥40% mark this site uses to surface candidates.
  • K. pneumoniae40.4% AI-predicted activityAt or above the ≥40% mark this site uses to surface candidates.
  • M. tuberculosis37.0% AI-predicted activityBelow 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 Rocuronium Bromide in ChEMBL Registered studies below

Docking

Computational · nothing measured

Dihydrofolate reductase ↗ (E. coli)

-7.5 kcal/mol

0better fit →-12

KPC-2 carbapenemase ↗ (K. pneumoniae)

-6.9 kcal/mol

0better fit →-12

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

-7.5 kcal/mol

0better fit →-12

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 Rocuronium Bromide 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.

  • Validation of a Pharmacokinetic Pharmacodynamic Model to Administer Propofol in Obese Patients

    NCT01596387 · start 2012-03

    Registered record
    Registry ID
    NCT01596387
    Conditions
    Obesity
    Interventions
    Propofol
    Study type
    INTERVENTIONAL
    Phase
    Phase 4
    Registry status
    Completed
    Start
    2012-03
    Completion
    2012-05
    Enrolment
    20

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

    ConditionObesity
    InterventionPropofol
    PhasePhase 4
    Registry statusCompleted

  • Effect of Propofol on Renal Injury in Patients Undergoing Valvular Heart Surgery

    NCT01384643 · start 2011-05

    Registered record
    Registry ID
    NCT01384643
    Conditions
    Heart Valve Disease
    Interventions
    Propofol
    Study type
    INTERVENTIONAL
    Phase
    Phase 4
    Registry status
    Completed
    Start
    2011-05
    Completion
    2012-05
    Enrolment
    112

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

    ConditionHeart Valve Disease
    InterventionPropofol
    PhasePhase 4
    Registry statusCompleted

  • Total Intravenous Anesthesia (TIVA) vs. Inhaled Anesthesia for Endoscopic Sinus Surgery.

    NCT01214057 · start 2010-05

    Registered record
    Registry ID
    NCT01214057
    Conditions
    Chronic Rhinosinusitis
    Interventions
    Propofol and Remifentanyl; Sevoflurane and Remifentanyl
    Study type
    INTERVENTIONAL
    Phase
    Not applicable
    Registry status
    Terminated
    Start
    2010-05
    Completion
    2012-10
    Enrolment
    23

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

    ConditionChronic Rhinosinusitis
    InterventionPropofol and Remifentanyl; Sevoflurane and Remifentanyl
    PhaseNot applicable
    Registry statusTerminated

  • Relation Between TOF-Watch® SX and a Peripheral Nerve Stimulator After 4.0 mg.Kg-1 Sugammadex (P05698)

    NCT00535496 · start 2007-09

    Registered record
    Registry ID
    NCT00535496
    Conditions
    Neuromuscular Blockade
    Interventions
    sugammadex
    Study type
    INTERVENTIONAL
    Phase
    Phase 3
    Registry status
    Completed
    Start
    2007-09
    Completion
    2008-02
    Enrolment
    91

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

    ConditionNeuromuscular Blockade
    Interventionsugammadex
    PhasePhase 3
    Registry statusCompleted

  • The Early Reversibility of Rocuronium After Different Doses of Neostigmine

    NCT00001520 · start 1996-09

    Registered record
    Registry ID
    NCT00001520
    Conditions
    Paralysis
    Interventions
    neostigmine
    Study type
    INTERVENTIONAL
    Phase
    Phase 4
    Registry status
    Completed
    Start
    1996-09
    Completion
    2000-08
    Enrolment
    60

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

    ConditionParalysis
    Interventionneostigmine
    PhasePhase 4
    Registry statusCompleted