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AMR Drug RepurposingSmart Screeningresearch prototype

Thiamine Hydrochloride

FDA-approved product (injectable, injection), marketed as Betalin S, Thiamine Hydrochloride.

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

Chemical structure

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

Existing / approved use

Documented · FDA, WHO, ChEMBL

Approved for

  • Anemia (phenotype)
  • Chronic kidney disease
  • Encephalopathy
  • Iron deficiency anemia
  • Thiamine deficiency

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

WHO therapeutic group
Vitamin b1, plain
Anti-infective classification
Not classified as an anti-infective.

Repurposing investigation

This medicine is being investigated here for AI-predicted antimicrobial activity against E. coli 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
  • MRSA41.0% AI-predicted activityAt or above the ≥40% mark this site uses to surface candidates.
  • E. coli50.4% AI-predicted activityAt or above the ≥40% mark this site uses to surface candidates.
  • K. pneumoniae20.7% AI-predicted activityBelow the ≥40% mark this site uses to surface candidates.
  • M. tuberculosis34.4% 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 Thiamine Hydrochloride in ChEMBL Registered studies below

Docking

Computational · nothing measured

Dihydrofolate reductase ↗ (E. coli)

-6.4 kcal/mol

0better fit →-12

KPC-2 carbapenemase ↗ (K. pneumoniae)

-6.3 kcal/mol

0better fit →-12

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

-6.6 kcal/mol

0better fit →-12

Dihydrofolate reductase ↗ (MRSA)

-5.9 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 Thiamine Hydrochloride 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.

  • Neuropathic Pain Management

    NCT01263132 · start 2008-02

    Registered record
    Registry ID
    NCT01263132
    Conditions
    Diabetic Neuropathies; Polyneuropathies
    Interventions
    F0434; Gabapentin
    Study type
    INTERVENTIONAL
    Phase
    Phase 3
    Registry status
    Completed
    Start
    2008-02
    Completion
    2010-02
    Enrolment
    104

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

    ConditionDiabetic Neuropathies; Polyneuropathies
    InterventionF0434; Gabapentin
    PhasePhase 3
    Registry statusCompleted

  • Effectiveness of Dalteparin Therapy as Intervention in Recurrent Pregnancy Loss

    NCT00400387 · start 2006-11

    Registered record
    Registry ID
    NCT00400387
    Conditions
    Abortion, Habitual
    Interventions
    Fragmin P Forte (dalteparin sodium); Multivitamin supplement
    Study type
    INTERVENTIONAL
    Phase
    Phase 3
    Registry status
    Completed
    Start
    2006-11
    Completion
    2013-04
    Enrolment
    449

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

    ConditionAbortion, Habitual
    InterventionFragmin P Forte (dalteparin sodium); Multivitamin supplement
    PhasePhase 3
    Registry statusCompleted

  • Trial of Vitamins Among Children of HIV-infected Women

    NCT00197730 · start 2004-06

    Registered record
    Registry ID
    NCT00197730
    Conditions
    HIV Infections; Pregnancy Complications
    Interventions
    Multivitamins - vitamins B complex, C and E; Placebo
    Study type
    INTERVENTIONAL
    Phase
    Phase 3
    Registry status
    Completed
    Start
    2004-06
    Completion
    2008-05
    Enrolment
    2,387

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

    ConditionHIV Infections; Pregnancy Complications
    InterventionMultivitamins - vitamins B complex, C and E; Placebo
    PhasePhase 3
    Registry statusCompleted

  • Lactate Metabolism Study in HIV Infected Persons

    NCT00202228 · start 2002-07

    Registered record
    Registry ID
    NCT00202228
    Conditions
    HIV Infections; AIDS; Lactic Acidosis; Lipodystrophy
    Interventions
    cofactor supplementation (thiamine, riboflavin, L-carnitine)
    Study type
    INTERVENTIONAL
    Phase
    Phase 4
    Registry status
    Completed
    Start
    2002-07
    Completion
    2011-09
    Enrolment
    30

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

    ConditionHIV Infections; AIDS; Lactic Acidosis; Lipodystrophy
    Interventioncofactor supplementation (thiamine, riboflavin, L-carnitine)
    PhasePhase 4
    Registry statusCompleted

  • Vitamin B Therapy for Hyperlactatemia

    NCT00031057

    Registered record
    Registry ID
    NCT00031057
    Conditions
    HIV Infections
    Interventions
    Thiamine hydrochloride; Riboflavin
    Study type
    INTERVENTIONAL
    Phase
    Not applicable
    Registry status
    Completed
    Start
    Not recorded
    Completion
    Not recorded
    Enrolment
    225

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

    ConditionHIV Infections
    InterventionThiamine hydrochloride; Riboflavin
    PhaseNot applicable
    Registry statusCompleted