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AMR Drug RepurposingSmart Screeningresearch prototype

Dihydroergotamine Mesylate

FDA-approved product (injectable, injection), marketed as Atzumi, Brekiya (Autoinjector), D.h.e. 45 and 3 more.

Registered studies
21
Lab records
0
Pathogens at ≥40%
4 of 4

Chemical structure

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

Existing / approved use

Documented · FDA, WHO, ChEMBL

Approved for

  • Migraine disorder

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

WHO therapeutic group
Ergot alkaloids
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, 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
  • MRSA57.4% AI-predicted activityAt or above the ≥40% mark this site uses to surface candidates.
  • E. coli55.2% AI-predicted activityAt or above the ≥40% mark this site uses to surface candidates.
  • K. pneumoniae46.0% AI-predicted activityAt or above the ≥40% mark this site uses to surface candidates.
  • M. tuberculosis59.4% 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

21registered 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 Dihydroergotamine Mesylate in ChEMBL Registered studies below

Docking

Computational · nothing measured

Dihydrofolate reductase ↗ (E. coli)

-8.7 kcal/mol

0better fit →-12

KPC-2 carbapenemase ↗ (K. pneumoniae)

-6.3 kcal/mol

0better fit →-12

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

-8.5 kcal/mol

0better fit →-12

Dihydrofolate reductase ↗ (MRSA)

-9.0 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 Dihydroergotamine Mesylate 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.

  • Pharmacokinetics & Tolerability Study of MAP0004 Co-administered With Ketoconazole

    NCT01468558 · start 2010-07

    Registered record
    Registry ID
    NCT01468558
    Conditions
    Healthy
    Interventions
    MAP0004; IV DHE; Ketoconazole
    Study type
    INTERVENTIONAL
    Phase
    Phase 1
    Registry status
    Completed
    Start
    2010-07
    Completion
    2010-08
    Enrolment
    24

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

    ConditionHealthy
    InterventionMAP0004; IV DHE; Ketoconazole
    PhasePhase 1
    Registry statusCompleted

  • Pharmacodynamic Study to Compare Acute Effects of Dihydroergotamine Mesylate (DHE) on Pulmonary Arterial Pressure

    NCT01089062 · start 2010-03

    Registered record
    Registry ID
    NCT01089062
    Conditions
    Healthy
    Interventions
    MAP0004; IV Placebo (Saline); Placebo Inhaler; IV Dihydroergotamine Mesylate (DHE)
    Study type
    INTERVENTIONAL
    Phase
    Phase 1
    Registry status
    Completed
    Start
    2010-03
    Completion
    2010-12
    Enrolment
    24

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

    ConditionHealthy
    InterventionMAP0004; IV Placebo (Saline); Placebo Inhaler; IV Dihydroergotamine Mesylate (DHE)
    PhasePhase 1
    Registry statusCompleted

  • Pharmacokinetics & Tolerability Study of MAP0004 in Smoking and Non-Smoking Adult Volunteers

    NCT01199965 · start 2010-01

    Registered record
    Registry ID
    NCT01199965
    Conditions
    Healthy Subjects
    Interventions
    MAP0004; IV DHE
    Study type
    INTERVENTIONAL
    Phase
    Phase 1 / Phase 2
    Registry status
    Completed
    Start
    2010-01
    Completion
    2010-04
    Enrolment
    47

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

    ConditionHealthy Subjects
    InterventionMAP0004; IV DHE
    PhasePhase 1 / Phase 2
    Registry statusCompleted

  • Effect of Dexamethasone on Migraine Headache

    NCT00733382 · start 2008-02

    Registered record
    Registry ID
    NCT00733382
    Conditions
    Migraine Headache
    Interventions
    dexamethazone
    Study type
    INTERVENTIONAL
    Phase
    Phase 1
    Registry status
    Unknown
    Start
    2008-02
    Completion
    2009-08
    Enrolment
    30

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

    ConditionMigraine Headache
    Interventiondexamethazone
    PhasePhase 1
    Registry statusUnknown

  • A Research Study Examining Migranal and Skin Sensitivity in Subjects With Migraine

    NCT00335777 · start 2006-08

    Registered record
    Registry ID
    NCT00335777
    Conditions
    Migraine
    Interventions
    Migranal nasal spray at 1 hour; Migranal nasal spray at 4 hour
    Study type
    INTERVENTIONAL
    Phase
    Phase 4
    Registry status
    Completed
    Start
    2006-08
    Completion
    2009-04
    Enrolment
    64

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

    ConditionMigraine
    InterventionMigranal nasal spray at 1 hour; Migranal nasal spray at 4 hour
    PhasePhase 4
    Registry statusCompleted

  • A Study Examining the Use of a Migraine Medicine in the Treatment of Two Migraine Attacks in Patients Who Have Increased Skin Sensitivity

    NCT00203268 · start 2003-12

    Registered record
    Registry ID
    NCT00203268
    Conditions
    Migraine
    Interventions
    dihydroergotamine mesylate
    Study type
    INTERVENTIONAL
    Phase
    Not applicable
    Registry status
    Completed
    Start
    2003-12
    Completion
    2005-03
    Enrolment
    13

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

    ConditionMigraine
    Interventiondihydroergotamine mesylate
    PhaseNot applicable
    Registry statusCompleted