Search results for "Trypanosoma cruzi"

showing 10 items of 37 documents

Triatomine vectors of Trypanosoma cruzi: a molecular perspective based on nuclear ribosomal DNA markers.

2002

Chagas disease (American trypanosomiasis) is mainly transmitted by blood-sucking bugs of the reduviid subfamily Triatominae (Hemiptera: Prosorrhyncha). Control strategies are directed mainly against these insect vectors, as no vaccine is available and, except in the very early stage of infection, there is no effective chemotherapy. Studies of deoxyribonucleic acid (DNA) will lead to major advances in our knowledge of Triatominae and their relationships to Chagas disease transmission, epidemiology and control. Analyses of complete sequences of nuclear genes coding for ribosomal ribonucleic acid (rRNA) (rRNA genes) and spacers furnish significant information at the levels of higher taxons, ge…

Chagas diseaseGenetic MarkersNuclear geneTrypanosoma cruzi18S ribosomal RNAPhylogeneticsmedicineAnimalsHumansChagas DiseaseInternal transcribed spacerTriatominaeRibosomal DNAPhylogenyGeneticsbiologyPublic Health Environmental and Occupational HealthGeneral MedicineRibosomal RNAmedicine.diseasebiology.organism_classificationInsect VectorsInfectious DiseasesRNA RibosomalParasitologyTriatominaeTransactions of the Royal Society of Tropical Medicine and Hygiene
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Antiparasitic Effect of Stilbene and Terphenyl Compounds against Trypanosoma cruzi Parasites

2021

AbstractBackgroundChagas disease, also known as American trypanosomiasis, is a potentially life-threatening illness caused by the protozoan parasite Trypanosoma cruzi. No progress in the treatment of this pathology has been made since Nifurtimox was introduced more than fifty years ago and is considered very aggressive and may cause several adverse effects. Currently, this drug has severe limitations, including high frequency of undesirable side effects and limited efficacy and availability and the research to discover new drugs for the treatment of Chagas disease is imperative. Many drugs available in the market are natural products as found in nature or compounds designed based on the str…

Chagas diseaseAntiparasiticmedicine.drug_classTrypanosoma cruzi<i>Trypanosoma cruzi</i>Pharmaceutical ScienceParasitemiaPharmacologyTrypanosoma cruzi.Pharmacy and materia medicaDrug DiscoverymedicineCytotoxic T cellStilbene ST18NifurtimoxAmastigoteTrypanosoma cruzibiologyChemistryR<i>Trypanosoma cruzi</i>; stilbene ST18; terphenyl TR4biology.organism_classificationmedicine.diseaseRS1-441TrypanosomaMedicineMolecular MedicineTerphenyl TR4medicine.drugPharmaceuticals
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Synthesis, biological evaluation and chemometric analysis of indazole derivatives. 1,2-Disubstituted 5-nitroindazolinones, new prototypes of antichag…

2012

Chagas disease chemotherapy, currently based on only two drugs, nifurtimox and benznidazole, is far from satisfactory and therefore the development of new antichagasic compounds remains an important goal. On the basis of antichagasic properties previously described for some 1,2-disubstituted 5-nitroindazolin-3- ones (21, 33) and in order to initiate the optimization of activity of this kind of compounds, we have prepared a series of related analogs (22-32, 34-38, 58 and 59) and tested in vitro these products against epimastigote forms of Trypanosoma cruzi. 2-Benzyl-1-propyl (22), 2-benzyl-1-isopropyl (23) and 2-benzyl-1-butyl (24) derivatives have shown high trypanocidal activity and low un…

Models MolecularDrugChagas diseaseIndazolesStereochemistryTrypanosoma cruzimedia_common.quotation_subjectStructure-Activity Relationshipchemistry.chemical_compoundParasitic Sensitivity TestsDrug DiscoverymedicineNifurtimoxTrypanosoma cruziBiological evaluationmedia_commonPharmacologyIndazoleDose-Response Relationship DrugMolecular StructurebiologyOrganic ChemistryGeneral Medicinemedicine.diseasebiology.organism_classificationTrypanocidal AgentsCombinatorial chemistrychemistryBenznidazolemedicine.drugEuropean Journal of Medicinal Chemistry
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In vitro and in silico studies of polycondensed diazine systems as anti-parasitic agents

2012

Abstract Parasitic diseases caused by protozoarian agents are still relevant today more than ever. Recently, we synthesized several polycondensed diazine derivatives by means 1,3-dipolar cycloaddition reactions. A broad selection of these compounds were submitted to in vitro biological screening against Plasmodium falciparum , Leishmania infantum , Trypanosoma brucei , and Trypanosoma cruzi , resulting active at micromolar level. Induced Fit Docking/MM-GBSA studies were performed giving interesting indications about the probable mechanism of action of the most active compounds

Models MolecularTrypanosoma cruziIn silicoPlasmodium falciparumTrypanosoma brucei bruceiClinical BiochemistryPharmaceutical ScienceTrypanosoma bruceiBiochemistryStructure-Activity Relationshipchemistry.chemical_compoundParasitic Sensitivity Testsparasitic diseasesDrug DiscoveryLeishmania infantumTrypanosoma cruziMolecular BiologyDiazineAntiparasitic AgentsDose-Response Relationship DrugMolecular StructurebiologyOrganic ChemistryPlasmodium falciparumAnti-parasitic Plasmodium Leishmania Trypanosoma Diazine Induced fit docking/MM-GBSAbiology.organism_classificationSettore CHIM/08 - Chimica FarmaceuticaHydrazineschemistryBiochemistryDocking (molecular)TrypanosomaMolecular MedicineLeishmania infantumBioorganic &amp; Medicinal Chemistry Letters
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New ligand-based approach for the discovery of antitrypanosomal compounds.

2005

The antitrypanosomal activity of 10 already synthesized compounds was in silico predicted as well as in vitro and in vivo explored against Trypanosoma cruzi. For the computational study, an approach based on non-stochastic linear fingerprints to the identification of potential antichagasic compounds is introduced. Molecular structures of 66 organic compounds, 28 with antitrypanosomal activity and 38 having other clinical uses, were parameterized by means of the TOMOCOMD-CARDD software. A linear classification function was derived allowing the discrimination between active and inactive compounds with a confidence of 95%. As predicted, seven compounds showed antitrypanosomal activity (%AE > 7…

TrypanosomaMolecular modelbiologyChemistryStereochemistryIn silicoOrganic ChemistryClinical BiochemistryAntiprotozoal AgentsPharmaceutical ScienceBiological activityLigand (biochemistry)biology.organism_classificationLigandsBiochemistryChemical synthesisIn vivoDrug DiscoveryMolecular MedicineAnimalsAmastigoteTrypanosoma cruziMolecular BiologyBioorganicmedicinal chemistry letters
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The catalytic mechanism of glyceraldehyde 3-phosphate dehydrogenase from Trypanosoma cruzi elucidated via the QM/MM approach

2013

Glyceraldehyde-3-phosphate dehydrogenase (GAPDH) has been identified as a key enzyme involved in glycolysis processes for energy production in the Trypanosoma cruzi parasite. This enzyme catalyses the oxidative phosphorylation of glyceraldehyde 3-phosphate (G3P) in the presence of inorganic phosphate (Pi) and nicotinamide adenosine dinucleotide (NAD+). The catalytic mechanism used by GAPDH has been intensively investigated. However, the individual roles of Pi and the C3 phosphate of G3P (Ps) sites, as well as some residues such as His194 in the catalytic mechanism, remain unclear. In this study, we have employed Molecular Dynamics (MD) simulations within hybrid quantum mechanical/molecular …

biocatalysisEnzims proteolíticsParàsitsStereochemistryTrypanosoma cruziGeneral Physics and AstronomyDehydrogenaseMolecular Dynamics SimulationNicotinamide adenine dinucleotideOxidative PhosphorylationSubstrate Specificityglyceraldehyde 3 phosphate dehydrogenaseQM/MMchemistry.chemical_compoundstomatognathic systemGlyceraldehydePhysical and Theoretical Chemistrynicotinamide adenine dinucleotideGlyceraldehyde 3-phosphate dehydrogenasechemistry.chemical_classificationbiologyGlyceraldehyde-3-Phosphate DehydrogenasesActive siteNADmolecular dynamicsEnzymechemistryBiochemistryBiocatalysisbiology.proteinQuantum TheoryNAD+ kinaseOxidation-ReductionPhysical Chemistry Chemical Physics
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Ligand-based discovery of novel trypanosomicidal drug-like compounds: In silico identification and experimental support

2010

Abstract Two-dimensional bond-based linear indices and linear discriminant analysis are used in this report to perform a quantitative structure–activity relationship study to identify new trypanosomicidal compounds. A database with 143 anti-trypanosomal and 297 compounds having other clinical uses, are utilized to develop the theoretical models. The best discriminant models computed using bond-based linear indices provides accuracies greater than 90 for both training and test sets. Our models identify as anti-trypanosomals five out of nine compounds of a set of already-synthesized substances. The in vitro anti-trypanosomal activity of this set against epimastigote forms of Trypanosoma cruzi…

Databases FactualMolecular modelCell SurvivalStereochemistryTrypanosoma cruziIn silicoNitro compoundQuantitative Structure-Activity RelationshipComputational biologyLigandsChemometricsDrug DiscoveryAnimalsHumansChagas DiseaseTrypanosoma cruziAmastigotePharmacologychemistry.chemical_classificationLife Cycle StagesbiologyOrganic ChemistryDiscriminant AnalysisBiological activityGeneral MedicineFibroblastsModels Theoreticalbiology.organism_classificationLinear discriminant analysisTrypanocidal AgentsHigh-Throughput Screening AssayschemistryAlgorithmsSoftwareEuropean Journal of Medicinal Chemistry
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New polyamine drugs as more effective antichagas agents than benznidazole in both the acute and chronic phases.

2018

Abstract Despite the continuous research effort that has been made in recent years to find ways to treat the potentially life threatening Chagas disease (CD), this remains the third most important infectious disease in Latin America. CD is an important public health problem affecting 6–7 million people. Since the need to search for new drugs for the treatment of DC persists, in this article we present a panel of new polyamines based on the tripodal structure of tris(2-aminomethyl)amine (tren) that can be prepared at low cost with high yields. Moreover, these polyamines present the characteristic of being water-soluble and resistant to the acidic pH values of stomach, which would allow their…

Chagas diseaseTrypanosoma cruziPharmacology01 natural sciencesMicrobodies03 medical and health scienceschemistry.chemical_compoundIn vivoOral administrationDrug DiscoverymedicinePolyaminesAnimalsHumansChagas DiseaseTrypanosoma cruzi030304 developmental biologyPharmacology0303 health sciencesFluorenesbiology010405 organic chemistryOrganic ChemistryGeneral Medicinemedicine.diseasebiology.organism_classificationTrypanocidal Agents0104 chemical scienceschemistrySolubilityInfectious disease (medical specialty)BenznidazoleNitroimidazolesDrug DesignToxicityAcute DiseaseChronic DiseasePolyaminemedicine.drugEuropean journal of medicinal chemistry
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Synthetic single and double aza-scorpiand macrocycles acting as inhibitors of the antioxidant enzymes iron superoxide dismutase and trypanothione red…

2014

The anti-chagasic activity of a series of eleven derivatives of aza-scorpiand-like macrocycles, some of them newly synthesised, was assayed. The four compounds with the best selectivity indices in vitro were subjected to in vivo assays. Tests in a murine model of the acute phase of Chagas disease showed a two-fold reduction in parasitaemia compared to that with benznidazole. Furthermore, compounds 7 and 11, with 4-pyridine and phenanthroline substituents in the lateral chain, caused a remarkable decrease in parasitaemia reactivation during the chronic phase after inducing immunosuppression in mice. These activity studies were complemented by measuring their inhibitory effect towards the ant…

chemistry.chemical_classificationChagas diseaseAntioxidantbiologyChemistryStereochemistryGeneral Chemical EngineeringPhenanthrolinemedicine.medical_treatmentGeneral Chemistrybiology.organism_classificationmedicine.diseaseIn vitrochemistry.chemical_compoundEnzymeBiochemistryBenznidazoleIn vivomedicineTrypanosoma cruzimedicine.drugRSC Adv.
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Antiprotozoal and cysteine proteases inhibitory activity of dipeptidyl enoates

2018

A family of dipeptidyl enoates has been prepared and tested against the parasitic cysteine proteases rhodesain, cruzain and falcipain-2 related to sleeping sickness, Chagas disease and malaria, respectively. They have also been tested against human cathepsins B and L1 for selectivity. Dipeptidyl enoates resulted to be irreversible inhibitors of these enzymes. Some of the members of the family are very potent inhibitors of parasitic cysteine proteases displaying k2nd (M−1s−1) values of seven orders of magnitude. In vivo antiprotozoal testing was also performed. Inhibitors exhibited IC50 values in the micromolar range against Plasmodium falciparum, Trypanosoma brucei, Trypanosoma cruzi and ev…

0301 basic medicinesleeping sicknessClinical BiochemistryPharmaceutical Science01 natural sciencesBiochemistryCathepsin BinhibitorsDrug Discoverychemistry.chemical_classificationbiologyChemistryDipeptidesHep G2 CellsMolecular Docking SimulationCysteine EndopeptidasesBiochemistryAntiprotozoalMolecular MedicineChagas diseaseProteasesCell Survivalmedicine.drug_classPlasmodium falciparumTrypanosoma brucei bruceimalariaAntiprotozoal AgentsCysteine Proteinase InhibitorsTrypanosoma bruceicysteine proteasesInhibitory Concentration 50Structure-Activity Relationship03 medical and health sciencesparasitic diseasesmedicineHumansTrypanosoma cruziMolecular Biologychagas diseaseBinding Sites010405 organic chemistryOrganic ChemistryPlasmodium falciparumbiology.organism_classificationmedicine.diseaseProtein Structure Tertiary0104 chemical sciences030104 developmental biologyEnzymeCysteineBioorganic &amp; Medicinal Chemistry
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