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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.

  • The Vitamin C, Hydrocortisone and Thiamine in Patients With Septic Shock Trial

    NCT03333278 · start 2018-05-02

    Registered record
    Registry ID
    NCT03333278
    Conditions
    Shock, Septic; Critically Ill; Vasoplegic Syndrome; Sepsis
    Interventions
    Vitamin C; Thiamine; Hydrocortisone,
    Study type
    INTERVENTIONAL
    Phase
    Phase 2
    Registry status
    Completed
    Start
    2018-05-02
    Completion
    2019-10-06
    Enrolment
    216

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

    ConditionShock, Septic; Critically Ill; Vasoplegic Syndrome; Sepsis
    InterventionVitamin C; Thiamine; Hydrocortisone,
    PhasePhase 2
    Registry statusCompleted

  • Evaluation of Hydrocortisone, Vitamin C and Thiamine for the Treatment of Septic Shock

    NCT03380507 · start 2018-03-17

    Registered record
    Registry ID
    NCT03380507
    Conditions
    Septic Shock; Critical Illness
    Interventions
    Triple therapy group
    Study type
    INTERVENTIONAL
    Phase
    Phase 2 / Phase 3
    Registry status
    Terminated
    Start
    2018-03-17
    Completion
    2021-11-01
    Enrolment
    106

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

    ConditionSeptic Shock; Critical Illness
    InterventionTriple therapy group
    PhasePhase 2 / Phase 3
    Registry statusTerminated

  • Effect of Inorganic Nitrate Supplement on Blood Pressure

    NCT03909789 · start 2017-11-17

    Registered record
    Registry ID
    NCT03909789
    Conditions
    Blood Pressure; Endothelial Dysfunction
    Interventions
    Plant based bioequivalent Nitrate supplementation; Placebo
    Study type
    INTERVENTIONAL
    Phase
    Not applicable
    Registry status
    Completed
    Start
    2017-11-17
    Completion
    2018-06-22
    Enrolment
    67

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

    ConditionBlood Pressure; Endothelial Dysfunction
    InterventionPlant based bioequivalent Nitrate supplementation; Placebo
    PhaseNot applicable
    Registry statusCompleted

  • The Effect of an Oral Supplement,TK3 (Tryptophan and Thiamine) on the Quality of Life and Chemotherapy Tolerance in Cancer Patients With Advanced Disease.

    NCT03341286 · start 2017-11

    Registered record
    Registry ID
    NCT03341286
    Conditions
    Cancer; Quality of Life; Chemotherapy Effect; Tryptophan; Thiamine
    Interventions
    TK3
    Study type
    INTERVENTIONAL
    Phase
    Phase 2
    Registry status
    Unknown
    Start
    2017-11
    Completion
    2019-05
    Enrolment
    140

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

    ConditionCancer; Quality of Life; Chemotherapy Effect; Tryptophan +1 more
    InterventionTK3
    PhasePhase 2
    Registry statusUnknown

  • Thiamine Supplementation in Patients With Septic Shock

    NCT03122678 · start 2016-11-05

    Registered record
    Registry ID
    NCT03122678
    Conditions
    Septic Shock; Shock, Septic; Lactic Acidosis; Thiamine Deficiency
    Interventions
    Thiamine; Placebos
    Study type
    INTERVENTIONAL
    Phase
    Phase 1
    Registry status
    Withdrawn
    Start
    2016-11-05
    Completion
    2019-03-14
    Enrolment
    0

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

    ConditionSeptic Shock; Shock, Septic; Lactic Acidosis; Thiamine Deficiency
    InterventionThiamine; Placebos
    PhasePhase 1
    Registry statusWithdrawn

  • Iron Absorption From a Micronutrient Powder Containing Galacto-oligosaccharides (GOS)

    NCT02666417 · start 2016-01

    Registered record
    Registry ID
    NCT02666417
    Conditions
    Anemia, Iron-Deficiency
    Interventions
    Fortified maize porridge (MNP+iron); Fortified maize porridge (MNP+iron+GOS)
    Study type
    INTERVENTIONAL
    Phase
    Not applicable
    Registry status
    Completed
    Start
    2016-01
    Completion
    2016-12
    Enrolment
    64

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

    ConditionAnemia, Iron-Deficiency
    InterventionFortified maize porridge (MNP+iron); Fortified maize porridge (MNP+iron+GOS)
    PhaseNot applicable
    Registry statusCompleted

  • Comparison of Two Nutrition Interventions in Young Children in El Salvador

    NCT02567981 · start 2015-09

    Registered record
    Registry ID
    NCT02567981
    Conditions
    Micronutrient Deficiency
    Interventions
    21 micronutrient-fortified supplement; Cereal Fortificado (Fortified Cereal); Ferrous sulphate; Vitamin A
    Study type
    INTERVENTIONAL
    Phase
    Not applicable
    Registry status
    Unknown
    Start
    2015-09
    Completion
    2020-09
    Enrolment
    4,577

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

    ConditionMicronutrient Deficiency
    Intervention21 micronutrient-fortified supplement; Cereal Fortificado (Fortified Cereal); Ferrous sulphate; Vitamin A
    PhaseNot applicable
    Registry statusUnknown

  • A Multi-center, Randomized, Double-blind, Placebo-controlled Trial to Evaluate the Efficacy and Safety of 'Ursa Complex Soft Cap. (UDCA-004)' in Patients With Physical Fatigue.

    NCT02418130 · start 2014-10

    Registered record
    Registry ID
    NCT02418130
    Conditions
    Fatigue
    Interventions
    Ursodeoxycholic acid, taurine, ginsenoside, thiamine, inositol; Placebo
    Study type
    INTERVENTIONAL
    Phase
    Phase 4
    Registry status
    Completed
    Start
    2014-10
    Completion
    2015-03
    Enrolment
    166

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

    ConditionFatigue
    InterventionUrsodeoxycholic acid, taurine, ginsenoside, thiamine, inositol; Placebo
    PhasePhase 4
    Registry statusCompleted

  • Optimum Thiamine Intervention (OpTIn) Trial

    NCT02788552 · start 2014-09

    Registered record
    Registry ID
    NCT02788552
    Conditions
    Wernicke-Korsakoff Syndrome
    Interventions
    Thiamine Hydrochloride
    Study type
    INTERVENTIONAL
    Phase
    Phase 4
    Registry status
    Completed
    Start
    2014-09
    Completion
    2019-08-01
    Enrolment
    334

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

    ConditionWernicke-Korsakoff Syndrome
    InterventionThiamine Hydrochloride
    PhasePhase 4
    Registry statusCompleted

  • Trace Element Replenishment Study in Hemodialysis Patients

    NCT01473914 · start 2012-11

    Registered record
    Registry ID
    NCT01473914
    Conditions
    End Stage Renal Disease
    Interventions
    Low dose: supplemental zinc, selenium and vitamin E; Standard renal vitamin: B and C renal vitamin; Medium dose: supplemental zinc, selenium and vitamin E
    Study type
    INTERVENTIONAL
    Phase
    Phase 3
    Registry status
    Completed
    Start
    2012-11
    Completion
    2014-01
    Enrolment
    150

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

    ConditionEnd Stage Renal Disease
    InterventionLow dose: supplemental zinc, selenium and vitamin E; Standard renal vitamin: B and C renal vitamin; Medium dose: supplemental zinc, selenium and vitamin E
    PhasePhase 3
    Registry statusCompleted

  • Electroacupuncture for Sciatica Due to Intervertebral Disc Displacement

    NCT02087462 · start 2012-01

    Registered record
    Registry ID
    NCT02087462
    Conditions
    Sciatica Due to Intervertebral Disc Disorder
    Interventions
    Electroacupuncture (EA); Traction; Voltaren; Vitamin B1
    Study type
    INTERVENTIONAL
    Phase
    Not applicable
    Registry status
    Unknown
    Start
    2012-01
    Completion
    2014-06
    Enrolment
    324

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

    ConditionSciatica Due to Intervertebral Disc Disorder
    InterventionElectroacupuncture (EA); Traction; Voltaren; Vitamin B1
    PhaseNot applicable
    Registry statusUnknown

  • Evaluating Whole Foods Supplementation on Cognition

    NCT01672359 · start 2011-05

    Registered record
    Registry ID
    NCT01672359
    Conditions
    Sub-optimal Cognitive Function; Sub-optimal Immune Function
    Interventions
    Ginkgo Synergy® and Choline; OPC Synergy® and Catalyn; Placebo
    Study type
    INTERVENTIONAL
    Phase
    Not applicable
    Registry status
    Completed
    Start
    2011-05
    Completion
    2011-12
    Enrolment
    97

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

    ConditionSub-optimal Cognitive Function; Sub-optimal Immune Function
    InterventionGinkgo Synergy® and Choline; OPC Synergy® and Catalyn; Placebo
    PhaseNot applicable
    Registry statusCompleted

  • A Trial of Thiamin Supplementation in Patients With Heart Failure

    NCT00959075 · start 2009-09

    Registered record
    Registry ID
    NCT00959075
    Conditions
    Heart Failure
    Interventions
    Vitamin B1; Placebo
    Study type
    INTERVENTIONAL
    Phase
    Phase 4
    Registry status
    Completed
    Start
    2009-09
    Completion
    2015-11
    Enrolment
    70

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

    ConditionHeart Failure
    InterventionVitamin B1; Placebo
    PhasePhase 4
    Registry statusCompleted

  • Micronutrient Supplementation in in Paediatric Pulmonary Tuberculosis

    NCT00801606 · start 2008-12

    Registered record
    Registry ID
    NCT00801606
    Conditions
    Tuberculosis
    Interventions
    Zinc; Micronutrient without zinc; Micronutrient with zinc; Placebo
    Study type
    INTERVENTIONAL
    Phase
    Phase 3
    Registry status
    Completed
    Start
    2008-12
    Completion
    2012-06
    Enrolment
    403

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

    ConditionTuberculosis
    InterventionZinc; Micronutrient without zinc; Micronutrient with zinc; Placebo
    PhasePhase 3
    Registry statusCompleted

  • High Dose Vitamin B1 to Reduce Abusive Alcohol Use

    NCT00680121 · start 2008-07

    Registered record
    Registry ID
    NCT00680121
    Conditions
    Alcoholism
    Interventions
    Benfotiamine; Placebo
    Study type
    INTERVENTIONAL
    Phase
    Phase 4
    Registry status
    Completed
    Start
    2008-07
    Completion
    2013-04
    Enrolment
    120

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

    ConditionAlcoholism
    InterventionBenfotiamine; Placebo
    PhasePhase 4
    Registry statusCompleted