Search results for "boronate"

showing 5 items of 5 documents

Development of peptidomimetic boronates as proteasome inhibitors.

2013

Abstract Proteasome inhibition has emerged over the past decade as an effective therapeutic approach for the treatment of hematologic malignancies. It is a multicatalytic complex, whose proteolytic activity relies in three types of subunits: chymotrypsin-like (β5), trypsin-like (β2) and caspase-like (β1). Most important for the development of effective antitumor agents is the inhibition of the β5 subunits. In this context, the dipeptide boronate bortezomib (Velcade ® ) represents the first proteasome inhibitor approved by the FDA and the lead compound in drug discovery. This paper describes the synthesis and biological evaluation of a series of conformationally constrained pseudopeptide bor…

Boron CompoundsModels MolecularProteasome Endopeptidase ComplexPeptidomimeticStructure-activity relationshipsPeptidomimetic boronates; Proteasome inhibitors; Docking studiesPharmacologyPeptidomimetic boronateDockingchemistry.chemical_compoundStructure-Activity RelationshipDrug DiscoverymedicineHumansProteasome inhibitorPharmacologyDipeptideDose-Response Relationship DrugMolecular StructureDrug discoveryBortezomibOrganic ChemistryGeneral MedicineBiochemistrychemistryProteasomeDocking (molecular)Proteasome inhibitorPeptidomimeticsLead compoundProteasome Inhibitorsmedicine.drugEuropean journal of medicinal chemistry
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Development of Novel Selective Peptidomimetics Containing a Boronic Acid Moiety, Targeting the 20S Proteasome as Anticancer Agents

2014

This paper describes the design, synthesis, and biological evaluation of peptidomimetic boronates as inhibitors of the 20S proteasome, a validated target in the treatment of multiple myeloma. The synthesized compounds showed a good inhibitory profile against the ChT-L activity of 20S proteasome. Compounds bearing a β-alanine residue at the P2 position were the most active, that is, 3-ethylphenylamino and 4-methoxyphenylamino (R)-1-{3-[4-(substituted)-2-oxopyridin-1(2H)-yl]propanamido}-3-methylbutylboronic acids (3 c and 3 d, respectively), and these derivatives showed inhibition constants (Ki ) of 17 and 20 nM, respectively. In addition, they co-inhibited post glutamyl peptide hydrolase act…

Proteasome Endopeptidase ComplexPeptidomimeticStereochemistryCell Survivalanticancer agents; boronates; bortemib; Docking studies; Peptidomimetics; inhibitor; proteasomesAntineoplastic AgentsSaccharomyces cerevisiaedocking studieBiochemistrySubstrate Specificitychemistry.chemical_compoundCell Line TumorDrug DiscoverymedicineMoietyHumansGeneral Pharmacology Toxicology and PharmaceuticsPharmacologychemistry.chemical_classificationBinding SitesproteasomesBortezomibOrganic ChemistrybortezomibboronateBoronic AcidspeptidomimeticProtein Structure Tertiaryanticancer agentMolecular Docking SimulationinhibitorEnzymechemistryProteasomeBiochemistryDocking (molecular)Molecular MedicinePeptidomimeticsGrowth inhibitionDrug Screening Assays AntitumorProteasome InhibitorsBoronic acidmedicine.drug
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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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CCDC 1822974: Experimental Crystal Structure Determination

2019

Related Article: Krzysztof M. Borys, Alicja Matuszewska, Dorota Wieczorek, Karolina Kopczyńska, Jacek Lipok, Izabela D. Madura, Agnieszka Adamczyk-Woźniak|2019|J.Mol.Struct.|1181|587|doi:10.1016/j.molstruc.2019.01.018

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersmethyl (2-((4-(4-fluorophenyl)piperazin-1-yl)methyl)phenyl)boronateExperimental 3D Coordinates
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CCDC 1497734: Experimental Crystal Structure Determination

2016

Related Article: S. Liu, G.S. Girolami|2016|IUCrData|1|x161264|doi:10.1107/S2414314616012645

Space GroupCrystallographyCrystal SystemCrystal Structureoctamethyl methanetetrayltetrakisboronateCell ParametersExperimental 3D Coordinates
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