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Identification of cisapride as new inhibitor of putrescine uptake in Trypanosoma cruzi by combined ligand- and structure-based virtual screening

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What this work says

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

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UCSF Chimera—A visualization system for exploratory research and analysis
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AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility
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AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading
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Statistical potentials for fold assessment
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Comparative Protein Modelling by Satisfaction of Spatial Restraints
inferredcites →https://doi.org/10.1007/s00232-016-9888-zopenalex-snapshot
Trypanosoma cruzi Polyamine Transporter: Its Role on Parasite Growth and Survival Under Stress Conditions
inferredcites →https://doi.org/10.1007/s10822-016-9903-6openalex-snapshot
Discovery of novel polyamine analogs with anti-protozoal activity by computer guided drug repositioning
inferredcites →https://doi.org/10.1016/j.actatropica.2014.02.012openalex-snapshot
Pentamidine exerts in vitro and in vivo anti Trypanosoma cruzi activity and inhibits the polyamine transport in Trypanosoma cruzi
inferredcites →https://doi.org/10.1016/j.bbrc.2004.07.002openalex-snapshot
Post genomic analysis of permeases from the amino acid/auxin family in protozoan parasites
inferredcites →https://doi.org/10.1016/j.bbrc.2006.03.215openalex-snapshot
Molecular and functional characterization of a spermidine transporter (TcPAT12) from Trypanosoma cruzi
inferredcites →https://doi.org/10.1016/j.str.2015.06.007openalex-snapshot
GPCR-I-TASSER: A Hybrid Approach to G Protein-Coupled Receptor Structure Modeling and the Application to the Human Genome
inferredcites →https://doi.org/10.1016/s0014-5793(99)00804-2openalex-snapshot
Trypanosoma cruzi epimastigotes lack ornithine decarboxylase but can express a foreign gene encoding this enzyme
inferredcites →https://doi.org/10.1016/s0022-2836(05)80360-2openalex-snapshot
Basic Local Alignment Search Tool
inferredcites →https://doi.org/10.1016/s0166-6851(96)02788-0openalex-snapshot
Diamine auxotrophy may be a universal feature of Trypanosoma cruzi epimastigotes
inferredcites →https://doi.org/10.1021/ci0500177openalex-snapshot
A Discussion of Measures of Enrichment in Virtual Screening: Comparing the Information Content of Descriptors with Increasing Levels of Sophistication
inferredcites →https://doi.org/10.1021/ci3001277openalex-snapshot
ZINC: A Free Tool to Discover Chemistry for Biology
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/jm300687eopenalex-snapshot
Directory of Useful Decoys, Enhanced (DUD-E): Better Ligands and Decoys for Better Benchmarking
inferredcites →https://doi.org/10.1038/nrd1549openalex-snapshot
Docking and scoring in virtual screening for drug discovery: methods and applications
inferredcites →https://doi.org/10.1042/bj20130350openalex-snapshot
Structural model of a putrescine-cadaverine permease from Trypanosoma cruzi predicts residues vital for transport and ligand binding
inferredcites →https://doi.org/10.1042/bj3160481openalex-snapshot
Regulation of a high-affinity diamine transport system in Trypanosoma cruzi epimastigotes
inferredcites →https://doi.org/10.1056/nejmoa1507574openalex-snapshot
Randomized Trial of Benznidazole for Chronic Chagas’ Cardiomyopathy
inferredcites →https://doi.org/10.1093/bioinformatics/btq662openalex-snapshot
Toward the estimation of the absolute quality of individual protein structure models
inferredcites →https://doi.org/10.1093/nar/28.1.235openalex-snapshot
The Protein Data Bank
inferredcites →https://doi.org/10.1093/nar/gkh131openalex-snapshot
UniProt: the Universal Protein knowledgebase
inferredcites →https://doi.org/10.1093/nar/gkt1068openalex-snapshot
DrugBank 4.0: shedding new light on drug metabolism
inferredcites →https://doi.org/10.1093/nar/gkw1099openalex-snapshot
UniProt: the universal protein knowledgebase
inferredcites →https://doi.org/10.1110/ps.9.9.1753openalex-snapshot
Modeling of loops in protein structures
inferredcites →https://doi.org/10.1111/j.1365-2958.2010.07081.xopenalex-snapshot
A high‐affinity putrescine‐cadaverine transporter from Trypanosoma cruzi
inferredcites →https://doi.org/10.1111/j.1574-6968.2010.01936.xopenalex-snapshot
Trypanosoma cruziamino acid transporter TcAAAP411 mediates arginine uptake in yeasts
inferredcites →https://doi.org/10.1128/aac.03972-14openalex-snapshot
SQ109, a New Drug Lead for Chagas Disease
inferredcites →https://doi.org/10.1146/annurev.biophys.29.1.291openalex-snapshot
Comparative Protein Structure Modeling of Genes and Genomes
inferredcites →https://doi.org/10.1186/1758-2946-3-33openalex-snapshot
Open Babel: An open chemical toolbox
inferredcites →https://doi.org/10.1371/journal.pntd.0005472openalex-snapshot
Trypanocidal Effect of Isotretinoin through the Inhibition of Polyamine and Amino Acid Transporters in Trypanosoma cruzi
inferredcites →https://doi.org/10.1371/journal.pone.0152715openalex-snapshot
The Trypanosoma cruzi Diamine Transporter Is Essential for Robust Infection of Mammalian Cells
inferredcites →https://doi.org/10.1586/17512433.2014.909282openalex-snapshot
Potential new clinical therapies for Chagas disease
inferredcites →https://doi.org/10.1590/s0001-37652011005000013openalex-snapshot
Chagas disease in prehistory
inferredcites →https://doi.org/10.1590/s0074-02761909000200008openalex-snapshot
Nova tripanozomiaze humana: estudos sobre a morfolojia e o ciclo evolutivo do Schizotrypanum cruzi n. gen., n. sp., ajente etiolojico de nova entidade morbida do homem
inferredcites →https://doi.org/10.4061/2011/657460openalex-snapshot
Trypanosoma cruzi Coexpressing Ornithine Decarboxylase and Green Fluorescence Proteins as a Tool to Study the Role of Polyamines in Chagas Disease Pathology
inferredcites →https://doi.org/10.4161/auto.24709openalex-snapshot
Polyamine depletion inhibits the autophagic response modulatingTrypanosoma cruziinfectivity

What points at this work

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

inferred← citeshttps://doi.org/10.2139/ssrn.4746016openalex-extracted
Chagas Disease: History, Pathophysiology and Therapeutic Treatment
inferred← citeshttps://doi.org/10.1007/s00436-023-08062-4openalex-snapshot
Triclabendazole and clofazimine reduce replication and spermine uptake in vitro in Toxoplasma gondii
inferred← citeshttps://doi.org/10.1007/s10822-022-00491-0openalex-snapshot
A combined ligand and target-based virtual screening strategy to repurpose drugs as putrescine uptake inhibitors with trypanocidal activity
inferred← citeshttps://doi.org/10.1016/b978-0-12-816125-8.00014-6openalex-snapshot
Drug Repurposing in Search of Anti-Infectives: Need of the Hour in the Multidrug Resistance Era!
inferred← citeshttps://doi.org/10.1016/b978-0-12-816125-8.00021-3openalex-snapshot
In Silico Modeling of FDA-Approved Drugs for Discovery of Therapies Against Neglected Diseases: A Drug Repurposing Approach
inferred← citeshttps://doi.org/10.1017/s0031182020000207openalex-snapshot
Computational approaches for drug discovery against trypanosomatid-caused diseases
inferred← citeshttps://doi.org/10.1042/bst20220618openalex-snapshot
Targeting trypanosomes: how chemogenomics and artificial intelligence can guide drug discovery
inferred← citeshttps://doi.org/10.1371/journal.pntd.0007481openalex-snapshot
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/10.2174/0929867325666180926151059openalex-snapshot
The Thiol-polyamine Metabolism of Trypanosoma cruzi: Molecular Targets and Drug Repurposing Strategies
inferred← citeshttps://doi.org/10.2174/0929867326666190620094710openalex-snapshot
Amino Acid and Polyamine Membrane Transporters in Trypanosoma cruzi: Biological Function and Evaluation as Drug Targets
inferred← citeshttps://doi.org/10.3389/fcimb.2018.00173openalex-snapshot
Cascade Ligand- and Structure-Based Virtual Screening to Identify New Trypanocidal Compounds Inhibiting Putrescine Uptake
inferred← citeshttps://doi.org/10.4014/jmb.2201.01009openalex-snapshot
Discovery of Chitin Deacetylase Inhibitors through Structure-Based Virtual Screening and Biological Assays
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