Search results for " Trypanosoma"

showing 7 items of 7 documents

Development of Novel Peptide-Based Michael Acceptors Targeting Rhodesain and Falcipain-2 for the Treatment of Neglected Tropical Diseases (NTDs)

2017

This paper describes the development of a class of peptide-based inhibitors as novel antitrypanosomal and antimalarial agents. The inhibitors are based on a characteristic peptide sequence for the inhibition of the cysteine proteases rhodesain of Trypanosoma brucei rhodesiense and falcipain-2 of Plasmodium falciparum. We exploited the reactivity of novel unsaturated electrophilic functions such as vinyl-sulfones, -ketones, -esters, and -nitriles. The Michael acceptors inhibited both rhodesain and falcipain-2, at nanomolar and micromolar levels, respectively. In particular, the vinyl ketone 3b has emerged as a potent rhodesain inhibitor (k2nd = 67 × 106 M-1 min-1), endowed with a picomolar b…

0301 basic medicineCathepsin LAntimalarialPeptideHeLa Cell01 natural sciencesCysteine Proteinase InhibitorDipeptideDrug DiscoveryPeptide sequencechemistry.chemical_classificationTrypanocidal AgentbiologyNeglected DiseasesStereoisomerismDipeptidesTrypanocidal AgentsMAJOR CYSTEINE PROTEASE PLASMODIUM-FALCIPARUM TRYPANOSOMA-BRUCEI CONFORMATIONAL-ANALYSIS BIOLOGICAL EVALUATION HIGHLY POTENT VINYL-ESTER INHIBITORS PEPTIDOMIMETICS SUBSTRATEMolecular Docking SimulationCysteine EndopeptidasesBiochemistryMolecular MedicineHumanProteasesNeglected DiseaseStereochemistryPhenylalaninePlasmodium falciparumTrypanosoma brucei bruceiCysteine Proteinase InhibitorsMolecular Dynamics SimulationTrypanosoma bruceiAntimalarialsStructure-Activity Relationship03 medical and health sciencesparasitic diseasesHumansStructure–activity relationship010405 organic chemistryDrug Discovery3003 Pharmaceutical ScienceHydrogen BondingTrypanosoma brucei rhodesiensePlasmodium falciparumbiology.organism_classificationMalaria0104 chemical sciencesTrypanosomiasis African030104 developmental biologychemistryCarbamateCarbamatesCysteine EndopeptidaseHeLa CellsCysteineJournal of Medicinal Chemistry
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Development of novel 1,4-benzodiazepine-based Michael acceptors as antitrypanosomal agents

2016

Novel 1,4-benzodiazepines, endowed with a Michael acceptor moiety, were designed taking advantage of a computational prediction of their pharmacokinetic parameters. Among all the synthesized derivatives, we identified a new lead compound (i.e., 4a), bearing a vinyl ketone warhead and endowed with a promising antitrypanosomal activity against Trypanosoma brucei brucei (IC50 = 5.29 µM), coupled with a lack of cytotoxicity towards mammalian cells (TC50>100 µM).

0301 basic medicineTrypanosomaKetonePeptidomimeticPeptidomimeticStereochemistryTrypanosoma brucei bruceiClinical BiochemistryPharmaceutical ScienceTrypanosoma brucei01 natural sciencesBiochemistryCell LineBenzodiazepinesMiceStructure-Activity Relationship03 medical and health scienceschemistry.chemical_compoundparasitic diseasesDrug DiscoveryAnimalsStructure–activity relationshipMoietyCytotoxicityMolecular BiologyMicrowave irradiationchemistry.chemical_classificationDose-Response Relationship DrugMolecular Structurebiology010405 organic chemistryMacrophagesOrganic Chemistrybiology.organism_classificationMichael acceptors Microwave irradiation Peptidomimetics Pharmacokinetic parameters TrypanosomaTrypanocidal Agents0104 chemical sciencesPharmacokinetic parameter030104 developmental biologychemistryMichael reactionMolecular MedicineMichael acceptorLead compoundBioorganic & Medicinal Chemistry Letters
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Identification of highly effective antitrypanosomal compounds in essential oils from the Apiaceae family

2018

The Apiaceae family encompasses aromatic plants of economic importance employed in foodstuffs, beverages, perfumery, pharmaceuticals and cosmetics. Apiaceae are rich sources of essential oils because of the wealth of secretory structures (ducts and vittae) they are endowed with. The Apiaceae essential oils are available on an industrial level because of the wide cultivation and disposability of the bulky material from which they are extracted as well as their relatively cheap price. In the fight against protozoal infections, essential oils may represent new therapeutic options. In the present work, we focused on a panel of nine Apiaceae species (Siler montamon, Sison amomum, Echinophora spi…

Human African trypanosomiasiAlkeneApiaceae; BALB/3T3; Essential oils; Human African trypanosomiasis; Trypanosoma brucei; 3T3 Cells; Alkenes; Animals; Apiaceae; Benzyl Compounds; Cyclohexenes; Dioxolanes; Inhibitory Concentration 50; Mice; Monoterpenes; Oils Volatile; Plant Oils; Pyrogallol; Terpenes; Trypanosoma brucei brucei; Trypanosomiasis; Pollution; Public Health Environmental and Occupational Health; Health Toxicology and MutagenesisHealth Toxicology and Mutagenesis[SDV]Life Sciences [q-bio]VolatileMonoterpeneAllylbenzene DerivativesPlant Oil01 natural sciencesCosmeticsEssential oilTerpenechemistry.chemical_compoundMiceTrypanosoma bruceiBALB/3T3media_commonBicyclic Monoterpenes2. Zero hungerbiologyTraditional medicineChemistryBenzyl CompoundsDioxolanesGeneral Medicine3T3 CellsPollutionHealthEssential oilsTerpeneIdentification (biology)Public HealthDioxolaneCyclohexenesmedia_common.quotation_subjectAcyclic MonoterpenesApiaceae; BALB/3T3; Essential oils; Human African trypanosomiasis; Trypanosoma brucei; 3T3 Cells; Alkenes; Animals; Apiaceae; Benzyl Compounds; Cyclohexenes; Dioxolanes; Inhibitory Concentration 50; Limonene; Mice; Monoterpenes; Oils Volatile; Plant Oils; Pyrogallol; Terpenes; Trypanosoma brucei brucei; TrypanosomiasisTrypanosoma brucei bruceiCyclohexane MonoterpenesTrypanosoma bruceiAlkenesPyrogallolInhibitory Concentration 50TrypanosomiasisBenzyl CompoundsCyclohexenesOils VolatileCyclohexeneAnimalsPlant OilsToxicology and Mutagenesis3T3 CellApiaceaeAnimal010405 organic chemistryTerpenesEnvironmental and Occupational HealthHuman African trypanosomiasisPublic Health Environmental and Occupational Healthbiology.organism_classification0104 chemical sciences010404 medicinal & biomolecular chemistryPyrogallolMonoterpenesCymenesBenzyl CompoundOilsLimoneneApiaceae
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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 & Medicinal Chemistry Letters
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Development of rhodesain inhibitors with a 3-bromoisoxazoline warhead

2013

Novel rhodesain inhibitors were obtained by combining an enantiomerically pure 3-bromoisoxazoline warhead with a specific peptidomimetic recognition moiety. All derivatives behaved as inhibitors of rhodesain, with low micromolar Ki values. Their activity against the enzyme was found to be paralleled by an in vitro antitrypanosomal activity, with IC50 values in the mid-micromolar range. Notably, a preference for parasitic over human proteases, specifically cathepsins B and L, was observed.

ProteasesStereochemistryPeptidomimeticCathepsin LMolecular ConformationStereoisomerismCysteine Proteinase InhibitorsBiologyCrystallography X-RayBiochemistryCysteine Proteinase InhibitorsCathepsin BCathepsin LinhibitorsDrug DiscoveryHumansMoietyGeneral Pharmacology Toxicology and PharmaceuticstrypanosomarhodesainPharmacologychemistry.chemical_classificationOrganic ChemistryStereoisomerismIsoxazolesisoxazolinesCombinatorial chemistryIn vitroCysteine EndopeptidasesEnzymechemistrypeptidomimeticsbiology.proteinMolecular Medicineinhibitors; isoxazolines; peptidomimetics; rhodesain; trypanosomaProtein Binding
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African trypanosomes expressing multiple VSGs are rapidly eliminated by the host immune system

2019

Significance Many parasites escape the host immune system by undergoing antigenic variation, a process in which surface antigens are regularly shed and replaced by new ones. Trypanosoma brucei employs multiple sophisticated molecular mechanisms to ensure the expression of a homogeneous VSG coat. We generated a mutant parasite that expresses multiple distinct VSGs and studied the consequences of having a multi-VSG coat during an infection. We showed that expression of multiple VSGs makes the parasites more vulnerable to the immune response, which can now control the trypanosomes from the onset of the infection, allowing most mice to survive. In the future, trypanosome infections may be treat…

Trypanosoma brucei bruceiParasitemiaBiologyTrypanosoma bruceiParasitemiaMicrobiologyHost-Parasite InteractionsMice03 medical and health sciencesImmune systemRAG2HMGB Proteinsparasitic diseasesmedicineAnimalsTrypanosoma brucei030304 developmental biologychemistry.chemical_classification0303 health sciencesMultidisciplinarymonoallelic expressionTDP1030306 microbiologyBiological Sciencesbiology.organism_classificationAcquired immune systemmedicine.diseaseAntigenic VariationVirologyadaptive immune response3. Good healthChromatinTrypanosomiasis AfricanPNAS PluschemistryImmune SystemGlycoproteinTrypanosomiasisVariant Surface Glycoproteins Trypanosomavariant surface glycoproteinProceedings of the National Academy of Sciences
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Synthesis and biological evaluation of novel peptidomimetics as rhodesain inhibitors

2016

Novel rhodesain inhibitors were developed by combining an enantiomerically pure 3-bromoisoxazoline warhead with a 1,4-benzodiazepine scaffold as specific recognition moiety. All compounds were proven to inhibit rhodesain with Ki values in the low-micromolar range. Their activity towards rhodesain was found to be coupled to an in vitro antitrypanosomal activity, with IC50 values ranging from the mid-micromolar to a low-micromolar value for the most active rhodesain inhibitor (R,S,S)-3. All compounds showed a good selectivity against the target enzyme since all of them were proven to be poor inhibitors of human cathepsin L. Novel rhodesain inhibitors were developed by combining an enantiomeri…

rhodesainPharmacologychemistry.chemical_classificationCathepsinPeptidomimetic010405 organic chemistryChemistryPeptidomimeticProton Magnetic Resonance SpectroscopyenPeptidomimetics; rhodesain; trypanosomaGeneral Medicine01 natural sciencesCombinatorial chemistryIn vitro0104 chemical sciencesCysteine Endopeptidases010404 medicinal & biomolecular chemistryEnzymeDrug DiscoveryIc50 valuesMoietyPeptidomimeticsCarbon-13 Magnetic Resonance SpectroscopytrypanosomaBiological evaluationJournal of Enzyme Inhibition and Medicinal Chemistry
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