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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.

  • Combined PECS II and Transeversus Thoracic Plane Blocks Vs Serratus Anterior Plane Block in Modified Radical Mastectomy

    NCT04908878 · start 2021-06-01

    Registered record
    Registry ID
    NCT04908878
    Conditions
    Ultrasound-Guided; Transeversus Thoracic Plane Blocks; Pectoral Nerve (PECS) Block; Serratus Anterior Plane Block; Modified Radical Mastectomy
    Interventions
    Pectoral nerve (PECS) block -transversus thoracic plane (TTP) block; Serratus anterior plane (SAP) block
    Study type
    INTERVENTIONAL
    Phase
    Not applicable
    Registry status
    Completed
    Start
    2021-06-01
    Completion
    2022-06-02
    Enrolment
    70

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

    ConditionUltrasound-Guided; Transeversus Thoracic Plane Blocks; Pectoral Nerve (PECS) Block; Serratus Anterior Plane Block +1 more
    InterventionPectoral nerve (PECS) block -transversus thoracic plane (TTP) block; Serratus anterior plane (SAP) block
    PhaseNot applicable
    Registry statusCompleted

  • Vitamin B Complex Improved Exercise Performance and Anti-fatigue

    NCT05586295 · start 2021-03-03

    Registered record
    Registry ID
    NCT05586295
    Conditions
    Exercise Performance; Fatigue
    Interventions
    Placebo; EX plus
    Study type
    INTERVENTIONAL
    Phase
    Not applicable
    Registry status
    Completed
    Start
    2021-03-03
    Completion
    2021-06-26
    Enrolment
    32

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

    ConditionExercise Performance; Fatigue
    InterventionPlacebo; EX plus
    PhaseNot applicable
    Registry statusCompleted

  • Combined PECS II and Transversus Plane Blocks Versus Erector Spinae Block in Modified Radical Mastectomy

    NCT03903224 · start 2021-02-08

    Registered record
    Registry ID
    NCT03903224
    Conditions
    Breast Cancer; Acute Postoperative Pain
    Interventions
    Combined Modified Pectoralis and Transversus Plane Blocks; Erector Spinae block
    Study type
    INTERVENTIONAL
    Phase
    Not applicable
    Registry status
    Completed
    Start
    2021-02-08
    Completion
    2023-11-01
    Enrolment
    60

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

    ConditionBreast Cancer; Acute Postoperative Pain
    InterventionCombined Modified Pectoralis and Transversus Plane Blocks; Erector Spinae block
    PhaseNot applicable
    Registry statusCompleted

  • Effects of Bromelain and Boswellia Serrata Casperome With Centella Asiatica and Vitamins on Edema, Paresthesia and Postoperative Pain After Quadrantectomy With or Without Sentinel Lymph Node Biopsy.

    NCT04669119 · start 2020-12-31

    Registered record
    Registry ID
    NCT04669119
    Conditions
    Breast Cancer Female; Pain, Postoperative
    Interventions
    Bromelain/Boswellia Serrata Casperome; Centella Asiatica/Vitamins; Placebo
    Study type
    INTERVENTIONAL
    Phase
    Phase 4
    Registry status
    Unknown
    Start
    2020-12-31
    Completion
    2022-01-31
    Enrolment
    120

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

    ConditionBreast Cancer Female; Pain, Postoperative
    InterventionBromelain/Boswellia Serrata Casperome; Centella Asiatica/Vitamins; Placebo
    PhasePhase 4
    Registry statusUnknown

  • The Benefits of Vitamin B Combination as Add on Therapy in the Management of Painful Diabetic Neuropathy Patient

    NCT04689971 · start 2020-11-03

    Registered record
    Registry ID
    NCT04689971
    Conditions
    Painful Diabetic Neuropathy
    Interventions
    Standard therapy; Vitamin B combination
    Study type
    INTERVENTIONAL
    Phase
    Phase 2 / Phase 3
    Registry status
    Unknown
    Start
    2020-11-03
    Completion
    2021-11
    Enrolment
    60

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

    ConditionPainful Diabetic Neuropathy
    InterventionStandard therapy; Vitamin B combination
    PhasePhase 2 / Phase 3
    Registry statusUnknown

  • Open Label Study: Treatment of ALS Fatigue With PolyMVA

    NCT04557410 · start 2020-09-23

    Registered record
    Registry ID
    NCT04557410
    Conditions
    Amyotrophic Lateral Sclerosis
    Interventions
    PolyMVA
    Study type
    INTERVENTIONAL
    Phase
    Phase 1
    Registry status
    Completed
    Start
    2020-09-23
    Completion
    2021-05-25
    Enrolment
    12

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

    ConditionAmyotrophic Lateral Sclerosis
    InterventionPolyMVA
    PhasePhase 1
    Registry statusCompleted

  • Thiamine, Ascorbic Acid, and Their Combination on MMP-9/TIMP-1 and Inflammatory Balance in Sepsis

    NCT07786350 · start 2020-04-01

    Registered record
    Registry ID
    NCT07786350
    Conditions
    Sepsis and Septic Shock
    Interventions
    Thiamine; Ascorbic Acid Injectable Product; Normal Saline 0.9% Injectable Solution
    Study type
    INTERVENTIONAL
    Phase
    Not applicable
    Registry status
    Completed
    Start
    2020-04-01
    Completion
    2021-05-01
    Enrolment
    40

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

    ConditionSepsis and Septic Shock
    InterventionThiamine; Ascorbic Acid Injectable Product; Normal Saline 0.9% Injectable Solution
    PhaseNot applicable
    Registry statusCompleted

  • Prebiotic GOS and Lactoferrin With Iron Supplements

    NCT03866837 · start 2020-01-15

    Registered record
    Registry ID
    NCT03866837
    Conditions
    Iron-deficiency
    Interventions
    Galacto-oligosaccharides; Bovine lactoferrin; Multiple micronutrient powders with 5 mg iron
    Study type
    INTERVENTIONAL
    Phase
    Not applicable
    Registry status
    Completed
    Start
    2020-01-15
    Completion
    2023-04-30
    Enrolment
    288

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

    ConditionIron-deficiency
    InterventionGalacto-oligosaccharides; Bovine lactoferrin; Multiple micronutrient powders with 5 mg iron
    PhaseNot applicable
    Registry statusCompleted

  • Vitamin C, Vitamin B1 and Steroid in Sepsis

    NCT04039815 · start 2019-12-03

    Registered record
    Registry ID
    NCT04039815
    Conditions
    Sepsis, Severe
    Interventions
    Ascorbic acid-Vitamin B1-Hydrocortisone; Placebo
    Study type
    INTERVENTIONAL
    Phase
    Phase 4
    Registry status
    Unknown
    Start
    2019-12-03
    Completion
    2020-12-31
    Enrolment
    80

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

    ConditionSepsis, Severe
    InterventionAscorbic acid-Vitamin B1-Hydrocortisone; Placebo
    PhasePhase 4
    Registry statusUnknown

  • Therapy With Hydrocortisone, Ascorbic Acid, Thamine in Patients With Sepsis

    NCT04160676 · start 2019-12-01

    Registered record
    Registry ID
    NCT04160676
    Conditions
    Sepsis
    Interventions
    Hydrocortisone, Ascorbic acid, Thiamine; Normal saline
    Study type
    INTERVENTIONAL
    Phase
    Not applicable
    Registry status
    Completed
    Start
    2019-12-01
    Completion
    2021-07-26
    Enrolment
    80

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

    ConditionSepsis
    InterventionHydrocortisone, Ascorbic acid, Thiamine; Normal saline
    PhaseNot applicable
    Registry statusCompleted

  • Trial to Assess Chelation Therapy in Critical Limb Ischemia

    NCT03982693 · start 2019-03-19

    Registered record
    Registry ID
    NCT03982693
    Conditions
    Critical Limb Ischemia; Diabetes
    Interventions
    Edetate Disodium; Placebo
    Study type
    INTERVENTIONAL
    Phase
    Phase 3
    Registry status
    Active not recruiting
    Start
    2019-03-19
    Completion
    2027-07
    Enrolment
    50

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

    ConditionCritical Limb Ischemia; Diabetes
    InterventionEdetate Disodium; Placebo
    PhasePhase 3
    Registry statusActive not recruiting

  • Effects of Glucocorticoid Combined With Vitamin C and Vitamin B1 on Microcirculation in Severe Septic Shock

    NCT03821714 · start 2019-02-01

    Registered record
    Registry ID
    NCT03821714
    Conditions
    Septic Shock
    Interventions
    Glucocorticoid combination therapy; Glucocorticoid
    Study type
    INTERVENTIONAL
    Phase
    Not applicable
    Registry status
    Completed
    Start
    2019-02-01
    Completion
    2020-01-30
    Enrolment
    22

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

    ConditionSeptic Shock
    InterventionGlucocorticoid combination therapy; Glucocorticoid
    PhaseNot applicable
    Registry statusCompleted

  • Blessing or Curse? Combined Vitamin Therapy in Non Viral Septic Shock.

    NCT06152458 · start 2019-01-01

    Registered record
    Registry ID
    NCT06152458
    Conditions
    Septic Shock
    Interventions
    Vitamin C
    Study type
    INTERVENTIONAL
    Phase
    Phase 4
    Registry status
    Completed
    Start
    2019-01-01
    Completion
    2020-03-01
    Enrolment
    43

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

    ConditionSeptic Shock
    InterventionVitamin C
    PhasePhase 4
    Registry statusCompleted

  • Thiamine Influenced on Substrate Energy Effectiveness in Indonesian Children Undergoing Cardiopulmonary Bypass

    NCT04453761 · start 2018-07-01

    Registered record
    Registry ID
    NCT04453761
    Conditions
    Thiamine Deficiency; Congenital Heart Disease; Cardiopulmonary Bypass
    Interventions
    Neurobion; Placebo
    Study type
    INTERVENTIONAL
    Phase
    Phase 4
    Registry status
    Unknown
    Start
    2018-07-01
    Completion
    2022-12-01
    Enrolment
    50

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

    ConditionThiamine Deficiency; Congenital Heart Disease; Cardiopulmonary Bypass
    InterventionNeurobion; Placebo
    PhasePhase 4
    Registry statusUnknown

  • Investigating Oral Agents for Urine Staining to Facilitate Intraoperative Observation of Ureteral Jets

    NCT03432572 · start 2018-06-27

    Registered record
    Registry ID
    NCT03432572
    Conditions
    Ureteral Injury
    Interventions
    Pyridium; Riboflavin; Thiamine
    Study type
    INTERVENTIONAL
    Phase
    Early phase 1
    Registry status
    Completed
    Start
    2018-06-27
    Completion
    2020-06-30
    Enrolment
    120

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

    ConditionUreteral Injury
    InterventionPyridium; Riboflavin; Thiamine
    PhaseEarly phase 1
    Registry statusCompleted