Search results for "C50"

showing 2 items of 182 documents

Discovery of a new class of sortase a transpeptidase inhibitors to tackle gram-positive pathogens: 2-(2-phenylhydrazinylidene)alkanoic acids and rela…

2016

A FRET-based random screening assay was used to generate hit compounds as sortase A inhibitors that allowed us to identify ethyl 3-oxo-2-(2-phenylhydrazinylidene)butanoate as an example of a new class of sortase A inhibitors. Other analogues were generated by changing the ethoxycarbonyl function for a carboxy, cyano or amide group, or introducing substituents in the phenyl ring of the ester and acid derivatives. The most active derivative found was 3-oxo-2-(2-(3,4dichlorophenyl)hydrazinylidene)butanoic acid (2b), showing an IC50 value of 50 µM. For a preliminary assessment of their antivirulence properties the new derivatives were tested for their antibiofilm activity. The most active compo…

sortase A; biofilms; 2-(2-phenylhydrazinylidene)alkanoic acid derivatives; FRET0301 basic medicineStaphylococcus aureusStereochemistryPharmaceutical ScienceRelated derivativesmedicine.disease_causeSettore BIO/19 - Microbiologia Generale01 natural sciencesArticleAnalytical Chemistrylcsh:QD241-441Inhibitory Concentration 5003 medical and health scienceschemistry.chemical_compound2-(2-phenylhydrazinylidene)alkanoic acid derivativeAnti-Infective AgentsBacterial Proteinslcsh:Organic chemistryStaphylococcus epidermidisAmideDrug DiscoveryStaphylococcus epidermidismedicineEnzyme InhibitorsPhysical and Theoretical ChemistryIC50Grambiology010405 organic chemistryChemistryBiofilmSortase AOrganic ChemistryBiofilmAminoacyltransferasesbiology.organism_classificationSettore CHIM/08 - Chimica Farmaceutica2-(2-phenylhydrazinylidene)alkanoic acid derivativesPhenylhydrazines0104 chemical sciencesCysteine Endopeptidases030104 developmental biologyChemistry (miscellaneous)Staphylococcus aureusSortase AFRETMolecular Medicinebiofilms
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Dipeptidyl Enoates As Potent Rhodesain Inhibitors That Display a Dual Mode of Action

2015

Dipeptidyl enoates were prepared through a high-yielding two-step synthetic route. They have a dipeptidic structure with a 4-oxoenoate moiety as a warhead with multiple reactive sites. Dipeptidyl enoates were screened against rhodesain and human cathepsins B and L, and were found to be potent and selective inhibitors of rhodesain. Among them (S,E)-ethyl 5-((S)-2-{[(benzyloxy)carbonyl]amino}-3-phenylpropanamido)-7-methyl-4-oxooct-2-enoate (6) was the most potent, with an IC50 value of 16.4 nm and kinact/Ki=1.6×106 m−1 s−1 against rhodesain. These dipeptidyl enoates display a reversible mode of inhibition at very low concentrations and an irreversible mode at higher concentrations. Inhibition…

trypanosomiasisStereochemistrysleeping sicknessCathepsin LDrug Evaluation PreclinicalChemistry Techniques SyntheticInhibition kineticsCysteine Proteinase InhibitorsBiochemistryCathepsin BInhibitory Concentration 50Structure-Activity RelationshipinhibitorsDrug DiscoveryHumansMoietyMolecular Targeted TherapyGeneral Pharmacology Toxicology and PharmaceuticsIC50Volume concentrationrhodesainPharmacologyChemistryOrganic ChemistryDual modeDipeptidesTrypanocidal AgentsCombinatorial chemistryMolecular Docking SimulationCysteine EndopeptidasesKineticsdipeptidyl enoatesTrypanosomiasis AfricanDocking (molecular)Molecular MedicineCysteine thiolateChemMedChem
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