Search results for "peptidomimetics"

showing 10 items of 27 documents

Antilisterial peptides from Spanish dry-cured hams: Purification and identification.

2016

The typical Spanish dry-cured ham has a particular sensory quality that makes it a distinctive food, highly appreciated for consumers worldwide. Its particular physicochemical properties, such as high salt content and reduced water activity contribute to their shelf-stability. However, post-processing actions carried out for the commercialization of these products such as slicing may increase the risk of development of pathogenic microorganisms as Listeria monocytogenes. During ripening, muscle proteins are hydrolyzed by muscle peptidases releasing peptides and free amino acids. Some of these peptides have been described to exert biological activities such as antioxidant and ACE-inhibition.…

ProteomicsAntioxidantWater activitySwinemedicine.medical_treatmentAntimicrobial peptidesMicrobial Sensitivity Testsmedicine.disease_causeProteomics01 natural sciencesMicrobiologyPentapeptide repeatMass SpectrometryHydrolysis0404 agricultural biotechnologyDry-cured hamListeria monocytogenesTandem Mass SpectrometryFood PreservedmedicineEthnicityAnimalsHumansAmino Acid Sequence2. Zero hungerMass spectrometryChemistry010401 analytical chemistryRipening04 agricultural and veterinary sciences040401 food scienceListeria monocytogenes0104 chemical sciencesAnti-Bacterial AgentsMeat ProductsBiochemistrySpainAntimicrobial peptidesPeptidomimeticsPeptidesFood ScienceFood microbiology
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Design, Synthesis, and Biological Evaluation of Novel Fluorinated Ethanolamines

2011

The preparation of novel fluorinated allylamines and their use as key fragments for the stereoselective synthesis of hydroxyethyl secondary amine (HEA)-type peptidomimetics is described. Our strategy employs chiral sulfinyl imines as synthesis intermediates, by treatment of hemiaminal precursors with two equivalents of vinylmagnesium bromide. The subsequent oxidation of the allylic amines to the corresponding epoxides was achieved by treatment with methyl(trifluoromethyl)dioxirane. Finally, epoxide ring opening with a range of nitrogen nucleophiles provided a library of HEA-derived peptidomimetics with a phenyldifluoromethylene moiety. The biological evaluation of these derivatives revealed…

Allylic rearrangementHalogenationPhthalic AcidsSulfonium CompoundsEpoxideCatalysisNocardiaantimicrobialsMycobacteriumchemistry.chemical_compoundDioxiraneNucleophileAnti-Infective AgentsfluorineMoietyOrganic chemistryAspartic Acid EndopeptidasesHumansEthanolamineTrifluoromethylMolecular StructureAntimicrobialsOrganic ChemistryEthanolaminesStereoisomerismBACE1FluorineGeneral ChemistrychemistryEthanolaminespeptidomimeticsHemiaminalethanolaminesEpoxy CompoundsIminesPeptidomimeticsAmyloid Precursor Protein Secretases
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Synthesis of novel fluorinated building blocks and α-helix peptidomimetics

2018

At its heart, the present PhD thesis is based on the premise of two important areas in modern organic chemistry: firstly, the development of new methodologies to incorporate fluorine into organic molecules; and secondly, the design and synthesis of small molecules with high therapeutic potential. The work presented in the first three chapters will therefore focus on the incorporation of fluorine into organic molecules and the synthesis of fluorinated building blocks. In each chapter, we aim to obtain biologically relevant small molecules containing fluorine atoms or fluorinated groupings. The introduction of fluorine is a commonly used method in drug discovery to fine-tune the properties of…

fluorinepeptidomimeticsterphenyl:QUÍMICA::Química orgánica [UNESCO]UNESCO::QUÍMICA::Química orgánicaorganic synthesis
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Optimization of peptidomimetic boronates bearing a P3 bicyclic scaffold as proteasome inhibitors

2014

Abstract A new series of pseudopeptide boronate proteasome inhibitors (2–3) was developed, through optimization of our previously described analogs of bortezomib, bearing a bicyclic 1,6-naphthyridin-5(6H)-one scaffold as P3 fragment (1). The biological evaluation on human 20S proteasome displayed a promising inhibition profile, especially for compounds bearing a P2 ethylene fragment, which exhibited Ki values in the nanomolar range for the ChT-L activity (e.g. 2a, Ki = 0.057 μM) and considerable selectivity for proteasome over bovine pancreatic α-chymotrypsin. Docking experiments into the yeast 20S proteasome revealed that the ligands are accommodated predominantly into the ChT-L site and t…

Proteasome Endopeptidase ComplexProtein ConformationStereochemistryPeptidomimeticAntineoplastic AgentsPeptidomimetic boronatePeptidomimetic boronates; Docing studies; Proteasome inhibitorsBortezomibchemistry.chemical_compoundCell Line TumorEndopeptidasesDrug DiscoverymedicineAnimalsHumansProteasome inhibitoranticancer drugTrypsinThreonineCell ProliferationPharmacologybiologyBicyclic moleculeBortezomibHydrolysisOrganic ChemistryActive siteGeneral MedicineBoronic AcidsCombinatorial chemistryMolecular Docking SimulationchemistryProteasomeDocking (molecular)Docking studieCaspasesDrug DesignPyrazinesProteolysisbiology.proteinCattlePeptidomimeticsProteasome InhibitorsLead compoundmedicine.drugEuropean Journal of Medicinal Chemistry
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Role of pulmonary surfactant protein Sp-C dimerization on membrane fragmentation: An emergent mechanism involved in lung defense and homeostasis.

2020

Surfactant protein C (SP-C) is a protein present in the pulmonary surfactant system that is involved in the biophysical properties of this lipoprotein complex, but it also has a role in lung defense and homeostasis. In this article, we propose that the link between both functions could rely on the ability of SP-C to induce fragmentation of phospholipid membranes and generate small vesicles that serve as support to present different ligands to cells in the lungs. Our results using bimolecular fluorescence complementation and tunable resistive pulse sensing setups suggest that SP-C oligomerization could be the triggering event that causes membrane budding and nanovesiculation. As shown by flu…

0301 basic medicineBiophysicsBiochemistryCell Line03 medical and health sciencesBimolecular fluorescence complementation0302 clinical medicinePulmonary surfactantProtein DomainsHumansAmino Acid SequenceFragmentation (cell biology)Unilamellar LiposomesChemistryVesicleSurfactant protein CCell BiologyMembrane buddingFlow CytometryPulmonary Surfactant-Associated Protein CEndocytosisRecombinant ProteinsCell biology030104 developmental biology030228 respiratory systemMembrane proteinStructural biologyMicroscopy FluorescencePeptidomimeticsProtein MultimerizationDimerizationBiochimica et biophysica acta. Biomembranes
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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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Development of Novel Benzodiazepine-Based Peptidomimetics as Inhibitors of Rhodesain from Trypanosoma brucei rhodesiense.

2020

Starting from the reversible rhodesain inhibitors 1 a-c, which have Ki values towards the target protease in the low-micromolar range, we have designed a series of peptidomimetics, 2 a-g, that contain a benzodiazepine scaffold as a β-turn mimetic; they are characterized by a specific peptide sequence for the inhibition of rhodesain. Considering that irreversible inhibition is strongly desirable in the case of a parasitic target, a vinyl ester moiety acting as Michael-acceptor was introduced as the warhead; this portion was functionalized in order to evaluate the size of corresponding enzyme pocket that could accommodate this substituent. With this investigation, we identified an irreversibl…

Trypanosoma brucei rhodesiensehuman African trypanosomiasiStereochemistryPeptidomimeticmedicine.medical_treatmentSubstituentAntiprotozoal AgentsTrypanosoma bruceiCysteine Proteinase Inhibitors01 natural sciencesBiochemistrychemistry.chemical_compoundBenzodiazepinesStructure-Activity RelationshipDrug DevelopmentParasitic Sensitivity TestsDrug DiscoverymedicineMoietyTrypanosoma bruceiGeneral Pharmacology Toxicology and PharmaceuticsPeptide sequencePharmacologyrhodesainProteasebiologyDose-Response Relationship DrugMolecular Structure010405 organic chemistryOrganic ChemistryTrypanosoma brucei rhodesiensebenzodiazepine scaffoldbiology.organism_classificationpeptidomimetic0104 chemical sciences010404 medicinal & biomolecular chemistryCysteine EndopeptidaseschemistryMolecular MedicinePeptidomimeticsMichael acceptorLead compoundChemMedChem
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Optimization Strategy of Novel Peptide-Based Michael Acceptors for the Treatment of Human African Trypanosomiasis

2019

This paper describes an optimization strategy of the highly active vinyl ketone 3 which was recognized as a strong inhibitor of rhodesain of Trypanosoma brucei rhodesiense, endowed with a ksecond v...

Trypanosoma brucei rhodesienseStrong inhibitorKetoneStereochemistryProtein ConformationPeptide01 natural sciences03 medical and health sciencesStructure-Activity RelationshipSUBSTRATEDrug DiscoverymedicineHumansAfrican trypanosomiasisSulfonesBIOLOGICAL EVALUATION030304 developmental biologyWARHEADchemistry.chemical_classification0303 health sciencesMolecular StructureChemistryDERIVATIVESTrypanosoma brucei rhodesienseCYSTEINE PROTEASES RHODESAIN BIOLOGICAL EVALUATION CATHEPSIN-L INHIBITORS BRUCEI PEPTIDOMIMETICS FALCIPAIN-2 DERIVATIVES SUBSTRATE WARHEADBRUCEImedicine.diseaseFALCIPAIN-2Trypanocidal Agents0104 chemical sciences010404 medicinal & biomolecular chemistryCysteine EndopeptidasesTrypanosomiasis AfricanCYSTEINE PROTEASES RHODESAINCATHEPSIN-LMolecular MedicineINHIBITORSPEPTIDOMIMETICS
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Arginine-Rich Peptidomimetic Ampicillin/Gentamicin Conjugate To Tackle Nosocomial Biofilms: A Promising Strategy To Repurpose First-Line Antibiotics

2023

: Combined therapy with penicillins and aminoglycosides has been proved beneficial to address many persistent bacterial infections with possible synergistic effects. However, the different pharmacokinetic profiles of these two antibiotic classes may not guarantee a concerted spatio-temporal delivery at the site of action, decreasing the efficacy of this combination and promoting resistance. Herein, we propose a multifunctional antibiotic-polymer conjugate, designed to colocalize ampicillin and gentamicin to tackle persistent biofilm infections. The two antibacterial molecules were grafted along with the amino acid l-arginine to a biocompatible polymer backbone with peptidomimetic hydrophili…

Infectious DiseasesantibiofilmSettore CHIM/09 - Farmaceutico Tecnologico Applicativopeptidomimeticsdrug deliveryampicillinargininegentamicinSettore MED/42 - Igiene Generale E ApplicataACS Infectious Diseases
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Synthesis and Molecular Modeling Studies of Derivatives of a Highly Potent Peptidomimetic Vinyl Ester as Falcipain-2 Inhibitors

2012

Herein we report the synthesis of a set of constrained peptidomimetics endowed with an electrophilic vinyl ester warhead and structurally related to a previously identified lead compound, a potent and irreversible inhibitor of falcipain-2 (FP-2). FP-2 is the main hemoglobinase of the malaria parasite P. falciparum. The new compounds were evaluated for their inhibition against FP-2, and the results were rationalized on the basis of docking experiments. These studies underscore the pivotal role of both the ester function at the P1' site and the trifluoromethyl group of the P3 side chain in determining the correct orientation of the Michael acceptor warhead in the catalytic site, and as a cons…

peptidomimeticdMolecular modelPeptidomimeticStereochemistryPlasmodium falciparumVinyl esterBiochemistrycysteine proteasesfalcipain-2 inhibitorsAntimalarialschemistry.chemical_compoundCatalytic DomainDrug DiscoverySide chainHumansEnzyme InhibitorsMalaria FalciparumGeneral Pharmacology Toxicology and PharmaceuticsPharmacologyTrifluoromethylOrganic Chemistrydocking studiescysteine proteases; peptidomimeticd; docking studies; falcipain-2 inhibitorsMolecular Docking SimulationCysteine EndopeptidaseschemistryDocking (molecular)Michael reactionMolecular MedicinePeptidomimeticsLead compoundChemMedChem
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