Search results for "IC50"

showing 10 items of 129 documents

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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A selective inhibitor of the Polo-box domain of Polo-like kinase 1 identified by virtual screening

2018

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0301 basic medicineLK Polo-like kinasePolo-like kinaseCell cycleIC50 50% inhibition concentrationVirtual drug screeningPLK103 medical and health sciences0302 clinical medicineNeoplasmsTargeted chemotherapylcsh:Science (General)MitosisComputingMethodologies_COMPUTERGRAPHICSCDK cyclin-dependent kinasePBD Polo-box domainPyRxNatural productslcsh:R5-920MultidisciplinaryMicroscale thermophoresisKinaseChemistryCell cycleCell biology030104 developmental biology030220 oncology & carcinogenesisCancer cellOriginal ArticleCAMKK2 calcium/calmodulin-dependent protein kinase kinase 2PC Polo-box caplcsh:Medicine (General)Multipolar spindleslcsh:Q1-390Journal of Advanced Research
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Repurposing a Library of Human Cathepsin L Ligands: Identification of Macrocyclic Lactams as Potent Rhodesain and Trypanosoma brucei Inhibitors.

2018

Rhodesain (RD) is a parasitic, human cathepsin L (hCatL) like cysteine protease produced by Trypanosoma brucei (T. b.) species and a potential drug target for the treatment of human African trypanosomiasis (HAT). A library of hCatL inhibitors was screened, and macrocyclic lactams were identified as potent RD inhibitors (Ki < 10 nM), preventing the cell-growth of Trypanosoma brucei rhodesiense (IC50 < 400 nM). SARs addressing the S2 and S3 pockets of RD were established. Three cocrystal structures with RD revealed a noncovalent binding mode of this ligand class due to oxidation of the catalytic Cys25 to a sulfenic acid (Cys–SOH) during crystallization. The P-glycoprotein efflux ratio was mea…

0301 basic medicineMaleTrypanosoma brucei rhodesienseSwineCathepsin LLactams MacrocyclicTrypanosoma bruceiCysteine Proteinase InhibitorsLigands01 natural sciencesCell LineCathepsin L03 medical and health sciencesStructure-Activity RelationshipIn vivoparasitic diseasesDrug DiscoveryHydrolaseAnimalsHumansIC50Binding SitesbiologyMolecular Structure010405 organic chemistryChemistryDrug RepositioningTrypanosoma brucei rhodesiensebiology.organism_classificationCysteine proteaseMolecular biologyTrypanocidal Agents0104 chemical sciencesRatsMice Inbred C57BLCysteine Endopeptidases030104 developmental biologyBlood-Brain Barrierbiology.proteinMolecular MedicineEffluxJournal of medicinal chemistry
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Sex-dependent metabolism of nevirapine in rats: impact on plasma levels, pharmacokinetics and interaction with nortriptyline.

2017

Abstract Nevirapine (NVP) is a non-nucleoside reverse transcriptase inhibitor (NNRTI) widely used in the treatment of human immunodeficiency virus type 1 (HIV-1) and is the first-choice NNRTI during pregnancy. NVP shows a sex dimorphic profile in humans with sex differences in bioavailability, biotransformation and toxicity. In this study, sex differences in NVP metabolism and inhibition of NVP metabolism by the antidepressant nortriptyline (NT) were evaluated using rats as experimental animals. NVP was administered orally to male and female rats and sex differences in plasma levels and pharmacokinetic parameters were analysed. NVP plasma levels were higher in female compared with male rats…

0301 basic medicineMicrobiology (medical)Malemedicine.medical_specialtyNevirapineMetabolite030106 microbiologyCmaxNortriptylineAntidepressive Agents Tricyclic030226 pharmacology & pharmacy03 medical and health scienceschemistry.chemical_compound0302 clinical medicineSex FactorsPharmacokineticsimmune system diseasesInternal medicinemedicineAnimalsPharmacology (medical)Drug InteractionsNevirapineRats WistarIC50Chemistryvirus diseasesGeneral MedicineBioavailabilityInfectious DiseasesEndocrinologyToxicityMicrosomes LiverReverse Transcriptase InhibitorsFemaleNortriptylinemedicine.drugInternational journal of antimicrobial agents
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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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Antipoxvirus Activity Evaluation of Optimized Corroles Based on Development of Autofluorescent ANCHOR Myxoma Virus

2021

International audience; A series of 43 antiviral corrole-based molecules have been tested on myxoma virus (Lausanne-like T1MYXV strain). An autofluorescent MYXV, with an ANCHOR cassette, has been used for the studies. A(2)B-fluorocorroles display various toxicities, from 40 being very toxic (CC50 = 1.7 mu M) to nontoxic 38 (CC50 > 50 mu M), whereas A(3)-fluorocorroles, with one to three fluorine atoms, are not toxic (with the exception of corroles 9, 10, and 22). In vitro, these compounds show a good selectivity index when used alone. Corrole 35 seems to be the most promising compound, which displays a high selectivity index with the lowest IC50. Interestingly, this "Hit" corrole is easy to…

0301 basic medicinePorphyrins[SDV]Life Sciences [q-bio]030106 microbiologyresistant strainMyxoma virusAntiviral Agents03 medical and health scienceschemistry.chemical_compoundmyxoma viruscorroleIn vivoAnimalsCorroleIC50Strain (chemistry)biologybiology.organism_classificationantiviralAcute toxicityIn vitro3. Good healthdsDNA virus030104 developmental biologyInfectious DiseaseschemistryBiochemistrypoxvirusRabbitsSelectivity
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Mode of Action Analyses of Neferine, a Bisbenzylisoquinoline Alkaloid of Lotus (Nelumbo nucifera) against Multidrug-Resistant Tumor Cells

2017

Neferine, a bisbenzylisoquinoline alkaloid isolated from the green seed embryos of Lotus (Nelumbo nucifera Gaertn), has been previously shown to have various anti-cancer effects. In the present study, we evaluated the effect of neferine in terms of P-glycoprotein (P-gp) inhibition via in vitro cytotoxicity assays, R123 uptake assays in drug-resistant cancer cells, in silico molecular docking analysis on human P-gp and in silico absorption, distribution, metabolism, and excretion (ADME), quantitative structure activity relationships (QSAR) and toxicity analyses. Lipinski rule of five were mainly considered for the ADME evaluation and the preset descriptors including number of hydrogen bond d…

0301 basic medicineQuantitative structure–activity relationshipnatural productsIn silicohERGPharmacologyP-glycoproteinchemotherapy03 medical and health sciences0302 clinical medicinecancerPharmacology (medical)Mode of actionIC50P-glycoproteinADMEOriginal ResearchPharmacologydrug resistancebiologylcsh:RM1-950030104 developmental biologylcsh:Therapeutics. Pharmacology030220 oncology & carcinogenesisbiology.proteinLipinski's rule of fiveneferineFrontiers in Pharmacology
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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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