Search results for "Inhibitory Concentration 50"

showing 10 items of 161 documents

2,3-Dihydrobenzofuran privileged structures as new bioinspired lead compounds for the design of mPGES-1 inhibitors

2016

International audience; 2,3-Dihydrobenzofurans are proposed as privileged structures and used as chemical platform to design small compound libraries. By combining molecular docking calculations and experimental verification of biochemical interference, we selected some potential inhibitors of microsomal prostaglandin E2 synthase (mPGES)-1. Starting from low affinity natural product 1, by our combined approach we identified the compounds 19 and 20 with biological activity in the low micromolar range. Our data suggest that the 2,3-dihydrobenzofuran derivatives might be suitable bioinspired lead compounds for development of new generation mPGES-1 inhibitors with increased affinity.

0301 basic medicine300323-Dihydrobenzofuran privileged structure; Cancer; Inflammation; Molecular docking; mPGES-1 inhibitors; Biochemistry; Clinical Biochemistry; Molecular Biology; Molecular Medicine; Organic Chemistry; Drug Discovery3003 Pharmaceutical Science; 3003Amino Acid MotifsClinical BiochemistryGene ExpressionPharmaceutical Science01 natural sciencesClinical biochemistryBiochemistry[ CHIM ] Chemical SciencesProtein Structure Secondary[ SDV.CAN ] Life Sciences [q-bio]/Cancerchemistry.chemical_compoundLow affinityDrug DiscoveryEnzyme Inhibitors23-Dihydrobenzofuran privileged structure; Molecular docking; mPGES-1 inhibitors; Cancer; InflammationProstaglandin-E SynthasesCancerAnti-Inflammatory Agents Non-SteroidalBiological activityProto-Oncogene Proteins c-metIntramolecular OxidoreductasesMolecular Docking SimulationMolecular dockingMolecular Medicinelipids (amino acids peptides and proteins)Cell SurvivalStereochemistryMolecular Sequence Data2Antineoplastic Agents[SDV.CAN]Life Sciences [q-bio]/Cancer3-Dihydrobenzofuran privileged structureInhibitory Concentration 50Structure-Activity Relationship03 medical and health sciencesCell Line TumorMicrosomesHumans[CHIM]Chemical SciencesMolecular BiologyBenzofuransInflammationNatural product010405 organic chemistryDrug Discovery3003 Pharmaceutical ScienceOrganic ChemistryEpithelial CellsmPGES-1 inhibitorsCombinatorial chemistryCombined approach0104 chemical sciences030104 developmental biologychemistryDrug DesignDrug Screening Assays Antitumor
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Cytotoxic effects induced by patulin, deoxynivalenol and toxin T2 individually and in combination in hepatic cells (HepG2).

2018

Abstract Patulin (PAT), deoxynivalenol (DON) and toxin T-2 (T-2) are mycotoxins distributed worldwide in food and feed. Cytotoxicity of the three mycotoxins individually or in combination in human hepatocellular carcinoma (HepG2) cells was evaluated by MTT assay over 24, 48 and 72 h of exposure. The concentration ranges used were 0.625–15 μM for DON, 1.25–50 nM for T-2 and 0.45–7.5 μM for PAT. The IC 50 values obtained ranged from 9.30 to 2.53 μM, from 33.69 to 44.37 nM and from 2.66 to 1.17 μM for DON, T-2 and PAT, respectively. The most cytotoxic mycotoxin to HepG2 cells was T-2 followed by PAT and DON. The combination ratios used for the mixtures were 1:3 (DON: T-2), 1:5 (DON: PAT), 1:1.…

0301 basic medicineCell SurvivalComplex MixturesToxicologymedicine.disease_causePatulin03 medical and health scienceschemistry.chemical_compoundInhibitory Concentration 500404 agricultural biotechnologymedicineCytotoxic T cellHumansMTT assayDrug InteractionsCytotoxicityMycotoxinDose-Response Relationship DrugToxin04 agricultural and veterinary sciencesGeneral MedicineHep G2 CellsMycotoxinsmedicine.disease040401 food scienceMolecular biologyDrug CombinationsT-2 Toxin030104 developmental biologyPatulinchemistryLiverHepatocellular carcinomaHepatic stellate cellTrichothecenesFood ScienceFood and chemical toxicology : an international journal published for the British Industrial Biological Research Association
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Chemical Composition, In Vitro Antitumor and Pro-Oxidant Activities of Glandora rosmarinifolia (Boraginaceae) Essential Oil

2018

The biological properties of essential oils have been demonstrated in the treatment of several diseases and to enhance the bioavailability of other drugs. In natural habitats the essential oils compounds may play important roles in the protection of the plants as antibacterials, antivirals, antifungals, insecticides and also against herbivores by reducing their appetite for such plants or by repelling undesirable others. We analyzed by gas-chromatography mass spectrometry the chemical composition of the essential oil of aerial parts of Glandora rosmarinifolia (Ten.) D.C. Thomas obtained by hydrodistillation and verified some biological activities on a panel of hepatocellular carcinoma cell …

0301 basic medicineChemical RadicalsAntioxidantmedicine.medical_treatmentMDA-MB-231Cancer Treatmentlcsh:MedicinenaphthoquinoneChemical CompositionBiochemistryPhysical ChemistryditerpeneAntioxidantslaw.invention0302 clinical medicinelawBreast TumorsSUM 149Medicine and Health SciencesBioassaySettore BIO/15 - Biologia FarmaceuticaCytotoxicitylcsh:ScienceMultidisciplinarybiologyTraditional medicineChemistryLiver DiseasesBoraginaceaeBoraginaceaeOxidantsHep3BLipidsChemistryOncology030220 oncology & carcinogenesisPhysical SciencesResearch ArticleHepG2Free RadicalsCell SurvivalGastroenterology and HepatologyCarcinomas03 medical and health sciencesInhibitory Concentration 50Cell Line TumorAromatic HydrocarbonsGastrointestinal TumorsBreast CancermedicineOils VolatileHumansPlant OilsEssential oilcytotoxic activityHA22T/VGH; HepG2; Hep3B; SUM 149; MDA-MB-231; cytotoxic activity; diterpenes; naphthoquinones; plant secondary metabolitesVolatile Organic CompoundsDose-Response Relationship DrugCell growthPlant ExtractsHA22T/VGHlcsh:RChemical CompoundsBiology and Life SciencesCancers and NeoplasmsEpithelial CellsHepatocellular CarcinomaSettore CHIM/06 - Chimica OrganicaPlant Components Aerialbiology.organism_classificationPro-oxidantplant secondary metabolitesAntineoplastic Agents PhytogenicHydrocarbonsBioavailability030104 developmental biologySettore BIO/03 - Botanica Ambientale E ApplicataHepatocytesSettore BIO/14 - Farmacologialcsh:QOils
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Identification of an optimized 2′-O-methylated trinucleotide RNA motif inhibiting Toll-like receptors 7 and 8

2017

Bacterial RNA serves an important function as activator of the innate immune system. In humans bacterial RNA is sensed by the endosomal receptors TLR7 and TLR8. Differences in the posttranscriptional modification profile of prokaryotic when compared with eukaryotic RNA allow innate immune cells to discriminate between “host” and “foreign” RNA. Ribose 2′-O-methylation is of particular importance and has been reported to antagonize TLR7/8 activation. Yet, the exact sequence context in which 2′-O-methylation has to occur to mediate its inhibitory activity remains largely undefined. On the basis of a naturally occurring 2′-O-methylated RNA sequence, we performed a systematic permutation of the …

0301 basic medicineCytidineBiologyBioinformaticsMethylationInhibitory Concentration 5003 medical and health scienceschemistry.chemical_compound0302 clinical medicineRNA TransferReportRiboseHumansNucleotideNucleotide MotifsMolecular Biologychemistry.chemical_classificationInnate immune systemNucleotides2'-O-methylationRNATLR7TLR8Cell biologyRNA Bacterial030104 developmental biologyToll-Like Receptor 7chemistryToll-Like Receptor 8MutationLeukocytes MononuclearNucleic acidRNA030215 immunologyRNA
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Cytotoxic effects induced by patulin, sterigmatocystin and beauvericin on CHO-K1 cells.

2015

Mycotoxins are produced by different genera of fungi; mainly Aspergillus, Penicillium and Fusarium. The natural co-occurrence of beauvericin (BEA), patulin (PAT) and sterigmatocystin (STE) has been proved in feed and food commodities. This study investigates the cytotoxicity of individual and combined mycotoxins BEA, PAT and STE. The cytotoxicity on immortalized ovarian cells (CHO-K1) was evaluated using the MTT assay. After 24, 48 and 72 h, the IC50 values were 2.9 μM for PAT and ranged from 10.7 to 2.2 μM and from 25.0 to 12.5 μM for BEA and STE, respectively. Cytotoxic interactions were assayed by the isobologram method, which provides a combination index (CI) value as a quantitative mea…

0301 basic medicineFusariumendocrine systemanimal structuresSterigmatocystinCHO CellsToxicologyPatulinToxicology03 medical and health scienceschemistry.chemical_compoundInhibitory Concentration 500404 agricultural biotechnologyCricetulusCricetinaeDepsipeptidesAnimalsMTT assayFood scienceCytotoxicityMycotoxinbiologyfood and beverages04 agricultural and veterinary sciencesGeneral Medicinebiology.organism_classification040401 food scienceBeauvericinbody regions030104 developmental biologyPatulinchemistryPenicilliumFood ScienceSterigmatocystinFood and chemical toxicology : an international journal published for the British Industrial Biological Research Association
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Inhibition of tetraspanin functions impairs human papillomavirus and cytomegalovirus infections

2018

Tetraspanins are suggested to regulate the composition of cell membrane components and control intracellular transport, which leaves them vulnerable to utilization by pathogens such as human papillomaviruses (HPV) and cytomegaloviruses (HCMV) to facilitate host cell entry and subsequent infection. In this study, by means of cellular depletion, the cluster of differentiation (CD) tetraspanins CD9, CD63, and CD151 were found to reduce HPV16 infection in HeLa cells by 50 to 80%. Moreover, we tested recombinant proteins or peptides of specific tetraspanin domains on their effect on the most oncogenic HPV type, HPV16, and HCMV. We found that the C-terminal tails of CD63 and CD151 significantly i…

0301 basic medicineHuman cytomegalovirusMaleTelomeraseTetraspaninsviruses610 MedizinCytomegalovirusIC50virus entrylcsh:ChemistryTetraspanin610 Medical scienceshuman papillomaviruslcsh:QH301-705.5SpectroscopyHuman papillomavirus 16virus diseasesGeneral MedicineBiología y Biomedicina / BiologíaEntry into hostComputer Science ApplicationsCytomegalovirus Infectionsembryonic structuresIC<sub>50</sub>HPV16BiologyCatalysisArticleInorganic Chemistry03 medical and health sciencesInhibitory Concentration 50AntigenViral entrymedicineHumansddc:610Physical and Theoretical ChemistryHumanes PapillomavirusMolecular BiologyCluster of differentiationOrganic ChemistryVirus internalizationCytomegalie-VirusIC 50Human papillomavirus virusesmedicine.diseaseVirologyHaCaT030104 developmental biologytetraspaninlcsh:Biology (General)lcsh:QD1-999human cytomegalovirusPeptidesDDC 610 / Medicine &amp; healthblocking peptideHeLa Cells
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In vitro antileishmanial activity of trans-stilbene and terphenyl compounds

2016

Leishmaniasis are globally widespread parasitic diseases which often leads to death if left untreated. Currently available drugs present different drawbacks, so there is an urgent need to develop new, safe and cost-effective drugs against leishmaniasis. In this study we tested a small library of trans-stilbene and terphenyl derivatives against promastigote, amastigotes and intramacrophage amastigote forms of Leishmania infantum. Two compounds of the series, the trans-stilbene 3 and the terphenyl 11, presented the best activity and safety profiles. Terphenyl 11 showed a leshmanicidal activity higher than pentostam and the ability to induce apoptosis selectively in Leishmania infantum while s…

0301 basic medicineMacrophageApoptosisPharmacologychemistry.chemical_compoundStilbenesLeishmania infantumProgrammed cell deathbiologyCell CycleGeneral MedicineU937 CellsFlow CytometryInfectious DiseasesTerphenyl CompoundsLeishmania infantumU937 CellHumanTerphenylLeishmaniasiImmunologyAntiprotozoal AgentsContext (language use)Cercopithecus03 medical and health sciencesInhibitory Concentration 50Structure-Activity RelationshipTerphenylTerphenyl Compoundsparasitic diseasesmedicineStructure–activity relationshipAnimalsHumansAmastigoteLeishmaniasis; Programmed cell death; Stilbenes; Terphenyls; Animals; Antiprotozoal Agents; Apoptosis; Cell Cycle; Cercopithecus; Epithelial Cells; Flow Cytometry; Humans; Inhibitory Concentration 50; Leishmania infantum; Macrophages; Microscopy Fluorescence; Stilbenes; Structure-Activity Relationship; Terphenyl Compounds; U937 Cells; Parasitology; ImmunologyEpithelial CellAnimalCercopithecuMacrophagesTerphenylsApoptosiLeishmaniasisEpithelial CellsTerphenyl Compoundmedicine.diseasebiology.organism_classificationIn vitro030104 developmental biologychemistryMicroscopy FluorescenceStilbeneAntiprotozoal AgentImmunologyParasitology
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Investigation on Quantitative Structure-Activity Relationships of 1,3,4-Oxadiazole Derivatives as Potential Telomerase Inhibitors.

2020

Background:Telomerase, a reverse transcriptase, maintains telomere and chromosomes integrity of dividing cells, while it is inactivated in most somatic cells. In tumor cells, telomerase is highly activated, and works in order to maintain the length of telomeres causing immortality, hence it could be considered as a potential marker to tumorigenesis.A series of 1,3,4-oxadiazole derivatives showed significant broad-spectrum anticancer activity against different cell lines, and demonstrated telomerase inhibition.Methods:This series of 24 N-benzylidene-2-((5-(pyridine-4-yl)-1,3,4-oxadiazol-2yl)thio)acetohydrazide derivatives as telomerase inhibitors has been considered to carry out QSAR studies…

0301 basic medicineModels MolecularTelomeraseQuantitative structure–activity relationship2D descriptorsDatasets as TopicQuantitative Structure-Activity RelationshipAntineoplastic Agents010402 general chemistry01 natural sciencesModels BiologicalAnticancer activityMLR03 medical and health sciencesInhibitory Concentration 50Drug DiscoveryLeast-Squares AnalysisTelomerase134-oxadiazolesOxadiazolesMolecular StructureDrug discoveryChemistryQSARQuantitative structureCombinatorial chemistry0104 chemical sciencesTelomerase inhibitors030104 developmental biology1 3 4 oxadiazole derivativesDrug Screening Assays AntitumorCurrent drug discovery technologies
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Inhibition of human monoamine oxidase A and B by flavonoids isolated from two Algerian medicinal plants

2017

Abstract Background Monoamine oxidases (MAOs) are outer mitochondrial membrane flavoenzymes. They catalyze the oxidative deamination of a variety of neurotransmitters. MAO-A and MAO-B may be considered as targets for inhibitors to treat neurodegenerative diseases and depression and for managing symptoms associated with Parkinson's and Alzheimer's diseases. Purpose The objective was to evaluate the inhibitory effect of Hypericum afrum and Cytisus villosus against MAO-A and B and to isolate the compounds responsible for the MAO-inhibitory activity. Methods The inhibitory effect of extracts and purified constituents of H. afrum and C. villosus were investigated in vitro using recombinant human…

0301 basic medicineMonoamine Oxidase InhibitorsMonoamine oxidaseDrug Evaluation PreclinicalPharmaceutical ScienceGenisteinMixed inhibitionArticleMass SpectrometryInhibitory Concentration 5003 medical and health scienceschemistry.chemical_compoundDrug DiscoveryHumansChrysinMonoamine OxidaseIC50CytisusFlavonoidsPharmacologyPlants MedicinalMolecular Docking Simulation030104 developmental biologyComplementary and alternative medicinechemistryBiochemistryDocking (molecular)AlgeriaMolecular MedicineQuercetinMyricetinQuercetinHypericumPhytomedicine
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In silico and in vitro prediction of the toxicological effects of individual and combined mycotoxins.

2018

3-Acetyldeoxynivalenol (3-AcDON) and 15-acetyldeoxynivalenol (15-AcDON) are converted to deoxynivalenol (DON) in vivo and their simultaneous presence may increase DON intake. Mixtures of DON and its derivatives are a public health concern. In this study DON, 3-AcDON and 15-AcDON were evaluated in vitro and in silico. The in vitro cytotoxicity of DON and its derivatives individually and combined was determined by the Neutral Red (NR) assay in human hepatocarcinoma (HepG2) cells. The concentrations tested were from 1.25 to 15 μM (DON) and from 0.937 to 7.5 μM (DON derivatives). The IC50 values were from >15 to 2.55 μM (DON), from 1.77 to 1.02 μM (3-AcDON), and from 4.05 to 1.68 μM (15-AcDON).…

0301 basic medicineNeutral redCell SurvivalIn silicoComplex MixturesIn Vitro TechniquesToxicologyExcretion03 medical and health scienceschemistry.chemical_compoundInhibitory Concentration 500404 agricultural biotechnologyIn vivoCytochrome P-450 CYP3AHumansComputer SimulationFood scienceMycotoxinCYP3A4Dose-Response Relationship DrugChemistry04 agricultural and veterinary sciencesGeneral MedicineHep G2 CellsMycotoxins040401 food scienceIn vitro030104 developmental biologyGastrointestinal AbsorptionToxicityTrichothecenesFood ScienceFood and chemical toxicology : an international journal published for the British Industrial Biological Research Association
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