Search results for "C50"

showing 10 items of 182 documents

Synthesis and biofilm formation reduction of pyrazole-4-carboxamide derivatives in some Staphylococcus aureus strains

2016

The ability of several N-phenyl-1H-pyrazole-4-carboxamide derivatives and other pyrazoles opportunely modified at the positions 3, 4 and 5, to reduce the formation of the biofilm in some Staphylococcus aureus strains (ATCC 29213, ATCC 25923 and ATCC 6538) were investigated. All the tested compounds were able, although to a different extent, to reduce the biofilm formation of the three bacterial strains considered. Among these, the 1-(2,5-dichlorophenyl)-5-methyl-N-phenyl-1H-pyrazole-4-carboxamide 14 resulted as the best inhibitor of biofilm formation showing an IC50 ranging from 2.3 to 32 μM, against all the three strains of S. aureus. Compound 14 also shows a good protective effect in vivo…

0301 basic medicineStaphylococcus aureusmedicine.drug_class030106 microbiologyCarboxamideMothsN-phenyl-1H-pyrazole-4-carboxamidePyrazoleSettore BIO/19 - Microbiologia Generalemedicine.disease_cause01 natural sciencesMicrobiologyStructure-Activity Relationship03 medical and health scienceschemistry.chemical_compoundDrug DiscoveryInhibition of biofilm formationmedicineAnimalsIC50PharmacologyWaxVirulencebiology010405 organic chemistryDrug Discovery3003 Pharmaceutical ScienceAnti-virulenceOrganic ChemistryBiofilmS. aureuGeneral MedicineStaphylococcal Infectionsbiology.organism_classificationSettore CHIM/08 - Chimica FarmaceuticaAnti-Bacterial Agents0104 chemical sciencesGalleria mellonellaHydrazinesSettore AGR/11 - Entomologia Generale E ApplicatachemistryStaphylococcus aureusBiofilmsLarvavisual_artWax moth larva modelvisual_art.visual_art_mediumPyrazolesLead compoundEuropean Journal of Medicinal Chemistry
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Targeting of the Leishmania Mexicana cysteine protease CPB2.8 ΔCTE by decorated fused benzo[b] thiophene scaffold.

2016

A potent and highly selective anhydride-based inhibitor of Leishmania mexicana cysteine protease CPB2.8ΔCTE (IC50 = 3.7 μM) was identified. The details of the interaction of the ligand with the enzyme active site were investigated by NMR biomimetic experiments and docking studies. Results of inhibition assays, NMR and theoretical studies indicate that the ligand acts initially as a non-covalent inhibitor and later as an irreversible covalent inhibitor by chemoselective attack of CYS 25 thiolate to an anhydride carbonyl.

0301 basic medicinebiology010405 organic chemistryChemistryStereochemistryGeneral Chemical EngineeringActive siteGeneral ChemistryHighly selectivebiology.organism_classification01 natural sciencesCysteine proteaseLeishmania mexicana0104 chemical sciences03 medical and health scienceschemistry.chemical_compound030104 developmental biologyCovalent bondDocking (molecular)biology.proteinThiopheneDRUG DISCOVERY SOFTWARE NEWS FORCE-FIELD CATHEPSIN-L INHIBITORS OPTIMIZATION TRYPANOSOMIASIS IDENTIFICATION PROTEINASES VALIDATIONIC50
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Both Phenolic and Non-phenolic Green Tea Fractions Inhibit Migration of Cancer Cells.

2016

Green tea consumption is associated with chemoprevention of many cancer types. Fresh tea leaves are rich in polyphenolic catechins, which can constitute up to 30% of the dry leaf weight. While the polyphenols of green tea have been well investigated, it is still largely unknown, whether or not non-phenolic constituents also reveal chemopreventive and anti-metastatic effects. In this study, we investigated the effects of a fraction of green tea rich in phenolic compounds (PF), a non-phenolic fraction (NPF), which contains glyceroglycolipids (GGL), and a pure glyceroglycolipid compound isolated from the non-phenolic fraction in human cancer. Dried green tea leaves were extracted and applied t…

0301 basic medicinegreen tea03 medical and health sciences0302 clinical medicinenutrigenomicschemopreventionPharmacology (medical)TheaceaeCytotoxicityIC50Original ResearchPharmacologybiologyChemistrylcsh:RM1-950food and beveragesbiology.organism_classificationIn vitro030104 developmental biologylcsh:Therapeutics. PharmacologyBiochemistryCell culturePolyphenolSephadex030220 oncology & carcinogenesisCancer cellmicroarraytheaceaeFrontiers in pharmacology
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Discovery of Natural Products as Novel and Potent FXR Antagonists by Virtual Screening

2018

Farnesoid X receptor (FXR) is a member of nuclear receptor family involved in multiple physiological processes through regulating specific target genes. The critical role of FXR as a transcriptional regulator makes it a promising target for diverse diseases, especially those related to metabolic disorders such as diabetes and cholestasis. However, the underlying activation mechanism of FXR is still a blur owing to the absence of proper FXR modulators. To identify potential FXR modulators, an in-house natural product database (NPD) containing over 4,000 compounds was screened by structure-based virtual screening strategy and subsequent hit-based similarity searching method. After the yeast t…

0301 basic medicinenatural product01 natural scienceslcsh:Chemistry03 medical and health scienceschemistry.chemical_compoundTranscriptional regulationGeneIC50Original ResearchVirtual screeningNatural productantagonistmolecular dockingsimilarity searchingGeneral Chemistryvirtual screening0104 chemical sciencesChemistry010404 medicinal & biomolecular chemistry030104 developmental biologyFXRlcsh:QD1-999Nuclear receptorBiochemistrychemistryFarnesoid X receptorGuggulsteroneFrontiers in Chemistry
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New Thiazole Nortopsentin Analogues Inhibit Bacterial Biofilm Formation.

2018

New thiazole nortopsentin analogues were conveniently synthesized and evaluated for their activity as inhibitors of biofilm formation of relevant Gram-positive and Gram-negative pathogens. All compounds were able to interfere with the first step of biofilm formation in a dose-dependent manner, showing a selectivity against the staphylococcal strains. The most active derivatives elicited IC50 values against Staphylococcus aureus ATCC 25923, ranging from 0.40&ndash

0301 basic medicinethiazole derivativeAquatic OrganismsIndolesDrug ResistancePharmaceutical ScienceBacterial growthAntibiofilm agentmedicine.disease_cause01 natural scienceschemistry.chemical_compoundDrug Discoveryanti-virulence agents; antibiofilm agents; marine alkaloids; nortopsentin analogues; thiazole derivatives; Anti-Bacterial Agents; Aquatic Organisms; Biofilms; Humans; Imidazoles; Indoles; Inhibitory Concentration 50; Staphylococcal Infections; Staphylococcus aureus; Thiazoles; Drug Resistance; Bacterial; Anti-virulence agents; Antibiofilm agents; Marine alkaloids; Nortopsentin analogues; Thiazole derivativesPharmacology Toxicology and Pharmaceutics (miscellaneous)lcsh:QH301-705.5Aquatic OrganismBiofilmBacterialImidazolesantibiofilm agentsStaphylococcal InfectionsAnti-Bacterial Agentsnortopsentin analoguesBiochemistryStaphylococcus aureusStaphylococcus aureumarine alkaloidsthiazole derivativesSelectivityHumanStaphylococcus aureusAnti-virulence agentNortopsentin analogueArticle03 medical and health sciencesInhibitory Concentration 50Anti-Bacterial AgentDrug Resistance BacterialIc50 valuesmedicineHumansThiazoleImidazoleStaphylococcal Infection010405 organic chemistryBiofilmSettore CHIM/08 - Chimica Farmaceutica0104 chemical sciencesmarine alkaloidThiazoles030104 developmental biologychemistrylcsh:Biology (General)anti-virulence agentsIndoleBiofilmsThiazoleMarine drugs
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Synthesis and cytotoxic activity of new artemisinin hybrid molecules against human leukemia cells

2017

A series of new artemisinin-derived hybrids which incorporate cholic acid moieties have been synthesized and evaluated for their antileukemic activity against sensitive CCRF-CEM and multidrug-resistant CEM/ADR5000 cells. The new hybrids 20-28 showed IC50 values in the range of 0.019µM-0.192µM against CCRF-CEM cells and between 0.345µM and 7.159µM against CEM/ADR5000 cells. Amide hybrid 25 proved the most active compound against both CCRF-CEM and CEM/ADR5000 cells with IC50 value of 0.019±0.001µM and 0.345±0.031µM, respectively. A relatively low cross resistance to hybrids 20-28 in the range of 5.7-fold to 46.1-fold was measured. CEM/ADR5000 cells showed higher resistance than CCRF-CEM to al…

0301 basic medicinevirusesClinical BiochemistryPharmaceutical ScienceAntineoplastic AgentsBiochemistryAntileukemic agentStructure-Activity Relationship03 medical and health scienceschemistry.chemical_compound0302 clinical medicineimmune system diseaseshemic and lymphatic diseasesAmideDrug DiscoveryTumor Cells CulturedmedicineHumansCytotoxic T cellDoxorubicinArtemisininMolecular BiologyIC50Cross-resistanceCell ProliferationLeukemiaDose-Response Relationship DrugMolecular StructureOrganic ChemistryCholic acidhemic and immune systemsArtemisinins030104 developmental biologyBiochemistrychemistry030220 oncology & carcinogenesisMolecular MedicineDrug Screening Assays Antitumormedicine.drugBioorganic & Medicinal Chemistry
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Synthesis of Rosmarinic Acid Amides as Antioxidative and Hypoglycemic Agents

2019

Type 2 diabetes mellitus (T2DM) is an important metabolic disorder for which there is an urgent need for new antidiabetic drugs. α-Glucosidase inhibition is an established protocol for T2DM therapy. Because hyperglycemia causes oxidative tissue damage, the development of agents with both α-glucosidase inhibition and antioxidant activity from natural or natural-derived polyphenols such derivatives of rosmarinic acid (RA) represents an attractive therapeutic option. We report a study on amides 1-10 derived from RA and their evaluation for yeast α-glucosidase inhibition and antioxidant activity (DPPH and ORAC tests). All amides showed higher inhibitory activity than that of RA, were by far mor…

3003DrugAntioxidantDPPHProton Magnetic Resonance Spectroscopymedia_common.quotation_subjectmedicine.medical_treatmentPharmaceutical ScienceOxidative phosphorylationPharmacologyDepsides01 natural sciencesAntioxidantsAnalytical Chemistrychemistry.chemical_compoundDrug DiscoverymedicineHypoglycemic AgentsSettore BIO/15 - Biologia FarmaceuticaCarbon-13 Magnetic Resonance SpectroscopyIC50media_commonAcarbosePharmacology010405 organic chemistrydiabetes mellituDrug Discovery3003 Pharmaceutical ScienceRosmarinic acidOrganic ChemistrySettore CHIM/06 - Chimica OrganicaComplementary and Alternative Medicine2708 DermatologyAmidesamide0104 chemical sciences010404 medicinal & biomolecular chemistryRosmarinic acidComplementary and alternative medicinechemistryCinnamatesPolyphenolAnalytical Chemistry; Molecular Medicine; Pharmacology; 3003; Drug Discovery3003 Pharmaceutical Science; Complementary and Alternative Medicine2708 Dermatology; Organic ChemistryMolecular Medicineα-glucosidasemedicine.drug
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Polyoxypregnanes as safe, potent, and specific ABCB1-inhibitory pro-drugs to overcome multidrug resistance in cancer chemotherapy in vitro and in vivo

2021

Multidrug resistance (MDR) mediated by ATP binding cassette subfamily B member 1 (ABCB1) is significantly hindering effective cancer chemotherapy. However, currently, no ABCB1-inhibitory drugs have been approved to treat MDR cancer clinically, mainly due to the inhibitor specificity, toxicity, and drug interactions. Here, we reported that three polyoxypregnanes (POPs) as the most abundant constituents of Marsdenia tenacissima (M. tenacissima) were novel ABCB1-modulatory pro-drugs, which underwent intestinal microbiota-mediated biotransformation in vivo to generate active metabolites. The metabolites at non-toxic concentrations restored chemosensitivity in ABCB1-overexpressing cancer cells v…

ABCC1 ATP binding cassette subfamily C member 1IC50 half maximal inhibitory concentrationMultidrug resistancePharmacologyNADPH reduced nicotinamide adenine dinucleotide phosphateF bioavailabilitychemistry.chemical_compoundPCR polymerase chain reaction0302 clinical medicineMDR multidrug resistanceECL electrochemiluminescencet1/2 elimination half-lifeLC–MS liquid chromatography coupled with mass spectrometryN.D. not detectedGeneral Pharmacology Toxicology and PharmaceuticsBBB blood–brain barriermedia_commonATF3 activating transcription factor 30303 health sciencesChemistryABC ATP-binding cassetteNMPA National Medical Products AdministrationPXR pregnane X receptorSDS-PAGE sodium dodecyl sulfate-polyacrylamide gel electrophoresisHBSS Hankʹs balanced salt solutionABCB1Combination chemotherapyProdrugMarsdenia tenacissimaCmax peak concentrationPaclitaxelGAPDH glyceraldehyde-3-phosphate dehydrogenase030220 oncology & carcinogenesisBHI brain heart infusionOriginal ArticleAUC0–∞ area under plasma concentration vs. time curveMRT mean residence timeDrugmedia_common.quotation_subjectRM1-950Vd volume of distributionABCB1 ATP binding cassette subfamily B member 1UIC-2 mouse monoclonal ABCB1 antibodyABCG2 ATP binding cassette subfamily G member 2Combination chemotherapyCYP cytochrome P450 isozymePI propidium iodideTEER transepithelial electrical resistance03 medical and health sciencesPBS phosphate buffer salineFBS fetal bovine serumDox doxorubicinIn vivoPOP polyoxypregnanemedicine030304 developmental biologyEVOM epithelial tissue voltohmmeterTmax time for peak concentrationCancerLBE lowest binding energyPE phycoerythrinmedicine.diseaseMultiple drug resistancePolyoxypregnanePapp apparent permeabilityN.A. not applicableCancer cellH&E hematoxylin and eosinMDR1a multidrug resistance protein 1aTherapeutics. PharmacologyqPCR quantitative PCRM. tenacissima Marsdenia tenacissimaCL clearanceSD standard derivationActa Pharmaceutica Sinica B
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Total synthesis and biological evaluation of the natural product (−)-cyclonerodiol, a new inhibitor of IL-4 signaling

2014

In a screening program of natural compounds from fungi, the known cyclopentanoid sesquiterpene (-)-cyclonerodiol was identified as a specific inhibitor of the IL-4 induced STAT6 signaling pathway (IC50 = 9.7 μM) which is required for the differentiation of naive CD4 T cells to T helper type 2 (Th2) lymphocytes. As many allergic conditions, including allergic asthma and atopic diseases, are driven by an excessive Th2 response, STAT6 is a promising target for the development of new therapeutics. The compound was synthesized in six steps from (-)-linalool using an epoxide radical cyclization as the key step.

Acyclic MonoterpenesSesquiterpeneBiochemistryRadical cyclizationCell Linechemistry.chemical_compoundAnti-Allergic AgentsHumansPhysical and Theoretical ChemistryIC50Interleukin 4STAT6Natural productOrganic ChemistryTotal synthesisAsthmachemistryBiochemistryCyclizationImmunologyMonoterpenesInterleukin-4Signal transductionSTAT6 Transcription FactorSesquiterpenesSignal TransductionOrg. Biomol. Chem.
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Effects of Some Guanidino Compounds on Human Cerebral Arteries

1999

Background and Purpose —Accumulation of endogenous guanidino-substituted analogues of l -arginine in chronic renal failure might contribute to some of the vascular and neurological disorders of this pathology. We tested the hypothesis that in human cerebral arteries, some guanidino compounds may increase vascular tone, through nitric oxide (NO) synthase inhibition, and impair endothelium-dependent relaxation. Methods —Rings of human middle cerebral artery were obtained during autopsy of 26 patients who had died 3 to 12 hours before. The rings were suspended in organ baths for isometric recording of tension. We then studied the responses to N G -monomethyl- l -arginine (L-NMMA), N G , N G -…

AdultMaleMiddle Cerebral Arterymedicine.medical_specialtyEndotheliumVasodilator AgentsCerebral arteriesEndogenyMethylguanidineArginineGuanidinesNitric oxidechemistry.chemical_compoundmedicine.arteryInternal medicinemedicineHumansVasoconstrictor AgentsEnzyme InhibitorsAgedEC50Advanced and Specialized Nursingomega-N-Methylargininebusiness.industryMiddle Agedmedicine.diseaseUremiaSurgeryEndocrinologymedicine.anatomical_structurechemistryMiddle cerebral arteryFemaleNeurology (clinical)Nitric Oxide SynthaseCardiology and Cardiovascular MedicinebusinessAcetylcholinemedicine.drugStroke
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