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Application of Computer-Aided Drug Repurposing in the Search of New Cruzipain Inhibitors: Discovery of Amiodarone and Bromocriptine Inhibitory Effects

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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Optimization Clustering Techniques
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The Importance of Being Earnest: Validation is the Absolute Essential for Successful Application and Interpretation of QSPR Models
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Drug repurposing and adverse event prediction using high‐throughput literature analysis
inferredcites →https://doi.org/10.1007/s00436-009-1383-3openalex-snapshot
Perspectives on the Trypanosoma cruzi–host cell receptor interactions
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End products and enzyme levels of aerobic glucose fermentation in trypanosomatids
inferredcites →https://doi.org/10.1016/0167-4838(90)90166-dopenalex-snapshot
Some kinetic properties of a cysteine proteinase (cruzipain) from Trypanosoma cruzi
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Development of α-keto-based inhibitors of cruzain, a cysteine protease implicated in Chagas disease
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Design, synthesis and cruzain docking of 3-(4-substituted-aryl)-1,2,4-oxadiazole-N-acylhydrazones as anti-Trypanosoma cruzi agents
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Studies toward the structural optimization of novel thiazolylhydrazone-based potent antitrypanosomal agents
inferredcites →https://doi.org/10.1016/j.bmcl.2010.10.015openalex-snapshot
Identification of potent and reversible cruzipain inhibitors for the treatment of Chagas disease
inferredcites →https://doi.org/10.1016/j.drudis.2011.02.016openalex-snapshot
In silico repositioning of approved drugs for rare and neglected diseases
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Antiprotozoal compounds: state of the art and new developments
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Proteomics of trypanosomatids of human medical importance
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Specific chemotherapy of Chagas disease: controversies and advances
inferredcites →https://doi.org/10.1016/s0263-7855(96)00081-1openalex-snapshot
Pharmacological distribution diagrams: A tool for de novo drug design
inferredcites →https://doi.org/10.1016/s0960-894x(02)00189-0openalex-snapshot
CoMFA and HQSAR of acylhydrazide cruzain inhibitors
inferredcites →https://doi.org/10.1016/s0968-0896(02)00427-3openalex-snapshot
Crystal structures of reversible ketone-Based inhibitors of the cysteine protease cruzain
inferredcites →https://doi.org/10.1016/s0968-0896(98)80022-9openalex-snapshot
Structure-based design, synthesis and evaluation of conformationally constrained cysteine protease inhibitors
inferredcites →https://doi.org/10.1016/s1074-5521(00)00018-1openalex-snapshot
Aryl ureas represent a new class of anti-trypanosomal agents
inferredcites →https://doi.org/10.1021/ci010291aopenalex-snapshot
Toward an Optimal Procedure for Variable Selection and QSAR Model Building
inferredcites →https://doi.org/10.1021/ci100297yopenalex-snapshot
MultiMCS: A Fast Algorithm for the Maximum Common Substructure Problem on Multiple Molecules
inferredcites →https://doi.org/10.1021/ci200528dopenalex-snapshot
Recognizing Pitfalls in Virtual Screening: A Critical Review
inferredcites →https://doi.org/10.1021/ja710254mopenalex-snapshot
Identification of a New Class of Nonpeptidic Inhibitors of Cruzain
inferredcites →https://doi.org/10.1021/jm049092jopenalex-snapshot
Virtual Screening Workflow Development Guided by the “Receiver Operating Characteristic” Curve Approach. Application to High-Throughput Docking on Metabotropic Glutamate Receptor Subtype 4
inferredcites →https://doi.org/10.1021/jm050691fopenalex-snapshot
Amiodarone Has Intrinsic Anti- Trypanosoma c ruzi Activity and Acts Synergistically with Posaconazole
inferredcites →https://doi.org/10.1021/jm100488wopenalex-snapshot
Complementarity Between a Docking and a High-Throughput Screen in Discovering New Cruzain Inhibitors
inferredcites →https://doi.org/10.1021/jm901069aopenalex-snapshot
Identification and Optimization of Inhibitors of Trypanosomal Cysteine Proteases: Cruzain, Rhodesain, and TbCatB
inferredcites →https://doi.org/10.1093/bib/bbr021openalex-snapshot
Drug repositioning for orphan diseases
inferredcites →https://doi.org/10.1093/nar/gkj067openalex-snapshot
DrugBank: a comprehensive resource for in silico drug discovery and exploration
inferredcites →https://doi.org/10.1093/nar/gkq1126openalex-snapshot
DrugBank 3.0: a comprehensive resource for 'Omics' research on drugs
inferredcites →https://doi.org/10.1126/scitranslmed.3001512openalex-snapshot
The Emergence of Genome-Based Drug Repositioning
inferredcites →https://doi.org/10.1371/journal.pntd.0001023openalex-snapshot
Mining a Cathepsin Inhibitor Library for New Antiparasitic Drug Leads
inferredcites →https://doi.org/10.1590/s0074-02762002000100001openalex-snapshot
A Critical Review on Chagas Disease Chemotherapy
inferredcites →https://doi.org/10.1590/s0074-02762009000900005openalex-snapshot
Current epidemiological trends for Chagas disease in Latin America and future challenges in epidemiology, surveillance and health policy
inferredcites →https://doi.org/10.2174/092986709788802971openalex-snapshot
Cruzipain, the Major Cysteine Protease of Trypanosoma cruzi: A Sulfated Glycoprotein Antigen as Relevant Candidate for Vaccine Development and Drug Target. A Review
inferredcites →https://doi.org/10.2174/092986710790226101openalex-snapshot
Chagas Disease: Progress and New Perspectives
inferredcites →https://doi.org/10.2174/092986711795328427openalex-snapshot
Exploring Old Drugs for the Treatment of Hematological Malignancies
inferredcites →https://doi.org/10.2174/157340810794578506openalex-snapshot
Peptidase Inhibitors as a Possible Therapeutic Strategy for Chagas Disease
inferredcites →https://doi.org/10.2174/157340912801619076openalex-snapshot
An Integrated Drug Development Approach Applying Topological Descriptors
inferredcites →https://doi.org/10.2174/157489107779561625openalex-snapshot
An Insight on Targets and Patented Drugs for Chemotherapy of Chagas Disease
inferredcites →https://doi.org/10.4155/fmc.11.92openalex-snapshot
Target Repurposing for Neglected Diseases

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Polypharmacology in Drug Discovery
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Discovery of novel polyamine analogs with anti-protozoal activity by computer guided drug repositioning
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Development of a pharmacophore for cruzain using oxadiazoles as virtual molecular probes: quantitative structure–activity relationship studies
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The Challenge of Finding New Therapies for Sleeping Sickness
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Repurposed Molecules: A New Hope in Tackling Neglected Infectious Diseases
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In Silico Modeling of FDA-Approved Drugs for Discovery of Therapies Against Neglected Diseases: A Drug Repurposing Approach
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Knowledge-Based Drug Repurposing: A Rational Approach Towards the Identification of Novel Medical Applications of Known Drugs
inferred← citeshttps://doi.org/10.1016/j.drudis.2015.02.004openalex-snapshot
Cruzain inhibitors: efforts made, current leads and a structural outlook of new hits
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Computer-guided drug repurposing: Identification of trypanocidal activity of clofazimine, benidipine and saquinavir
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An in vitro and in vivo evaluation of new potential trans -sialidase inhibitors of Trypanosoma cruzi predicted by a computational drug repositioning method
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A bibliometric review on in silico drug repurposing: Performance analysis, science mapping and text mining (2000–2023)
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Predicting and classifying deoxynivalenol in wheat flour using ATR-FTIR spectroscopy and explainable machine learning
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Computational approaches for drug discovery against trypanosomatid-caused diseases
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Bromocriptine as a Novel Pharmacological Chaperone for Mucopolysaccharidosis IV A
inferred← citeshttps://doi.org/10.1080/21645515.2015.1078044openalex-snapshot
Coadministration of cruzipain and GM-CSF DNAs, a new immunotherapeutic vaccine againstTrypanosoma cruziinfection
inferred← citeshttps://doi.org/10.1111/1440-1681.13678openalex-snapshot
Bromocriptine therapy: Review of mechanism of action, safety and tolerability
inferred← citeshttps://doi.org/10.1186/s12967-016-1007-5openalex-snapshot
Repositioning of bromocriptine for treatment of acute myeloid leukemia
inferred← citeshttps://doi.org/10.1186/s13321-016-0114-xopenalex-snapshot
How frequently do clusters occur in hierarchical clustering analysis? A graph theoretical approach to studying ties in proximity
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Crystal violet structural analogues identified by in silico drug repositioning present anti-Trypanosoma cruzi activity through inhibition of proline transporter TcAAAP069
inferred← citeshttps://doi.org/10.2174/0109298673254864230921090519openalex-snapshot
Discovery of Novel Inhibitors of Cruzain Cysteine Protease of Trypanosoma cruzi
inferred← citeshttps://doi.org/10.2174/0929867325666180926151059openalex-snapshot
The Thiol-polyamine Metabolism of Trypanosoma cruzi: Molecular Targets and Drug Repurposing Strategies
inferred← citeshttps://doi.org/10.2174/0929867326666191016114839openalex-snapshot
In Silico Drug Repositioning for Chagas Disease
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Computational Drug Repositioning by Target Hopping: A Use Case in Chagas Disease
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Major Kinds of Drug Targets in Chagas Disease or American Trypanosomiasis
inferred← citeshttps://doi.org/10.2174/138955751503150312120208openalex-snapshot
High-throughput Drug Repositioning for the Discovery of New Treatments for Chagas Disease
inferred← citeshttps://doi.org/10.2174/1389557515666150219145148openalex-snapshot
Multiscale Modelling of Relationships between Protein Classes and Drug Behavior Across all Diseases Using the CANDO Platform
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The Importance of Bioactivation in Computer-Guided Drug Repositioning. Why the Parent Drug is Not Always Enough
inferred← citeshttps://doi.org/10.2174/1568026618666180509151146openalex-snapshot
Modern Approaches for the Discovery of Anti-Infectious Drugs for the Treatment of Neglected Diseases
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Targets and Patented Drugs for Chemotherapy of Chagas Disease in the Last 15 Years-Period
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Investigation of a combination of amiodarone and itraconazole for treatment of American trypanosomiasis (Chagas disease) in dogs
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One Drug for Multiple Targets: A Computational Perspective
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Trypanosomatid-Caused Conditions: State of the Art of Therapeutics and Potential Applications of Lipid-Based Nanocarriers
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Cascade Ligand- and Structure-Based Virtual Screening to Identify New Trypanocidal Compounds Inhibiting Putrescine Uptake
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Broadening the spectrum of ivermectin: Its effect on Trypanosoma cruzi and related trypanosomatids
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Repurposing of Bromocriptine for Cancer Therapy
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Chagas disease and amiodarone: a bibliometric and systematic review from cell to patient
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In Silico Insight into Potential Anti-Alzheimer’s Disease Mechanisms of Icariin
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Computational Drug Repositioning for Chagas Disease Using Protein-Ligand Interaction Profiling
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Virtual screening based on covalent docking and MM-PBSA calculations predict the drugs neratinib, sacubitril, alprostadil, trandolapril, and florbetapir as promising cruzain inhibitors useful against Chagas disease.
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Repositioning FDA Drugs as Potential Cruzain Inhibitors from Trypanosoma cruzi: Virtual Screening, In Vitro and In Vivo Studies
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Integrated In Vitro and In Silico Profiling of Piperazinyl Thiosemicarbazone Derivatives Against Trypanosoma cruzi: Stage-Specific Activity and Enzyme Inhibition
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BÚSQUEDA DE NUEVOS FÁRMACOS ANTICHAGÁSICOS INHIBIDORES DE LA TRIPANOTIÓN SINTETASA
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Búsqueda racional de nuevos fármacos antichagásicos inhibidores de la cruzipaína
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