Search results for "Ic50 values"

showing 9 items of 29 documents

Cytotoxic bufadienolides from the leaves of a medicinal plant Melianthus comosus collected in South Africa.

2020

Abstract From the leaves of South African medicinal plant Melianthus comosus, four previously undescribed bufadienolides, 16β-formyloxymelianthugenin (1), 2β-acetoxymelianthusigenin (2), 2β-hydroxy-3β,5β-di-O-acetylhellebrigenin (3), and 2β-acetoxy-5β-O-acetylhellebrigenin (4) were isolated together with two known bufadienolides. The structural elucidation of the compounds was based on 1D and 2D NMR spectroscopy, high-resolution mass spectrometry, and other spectroscopic methods. The relative configurations were determined by single-crystal X-ray crystallography analysis and NOESY correlations. The isolated compounds displayed strong cytotoxicity against MCF-7 breast cancer cells, sensitive…

StereochemistryMolecular ConformationMass spectrometry01 natural sciencesBiochemistrySouth AfricaStructure-Activity RelationshipCell Line TumorDrug DiscoveryIc50 valuesCytotoxic T cellHumansCytotoxicityMolecular BiologyCell ProliferationPlants MedicinalbiologyDose-Response Relationship Drug010405 organic chemistryChemistryOrganic ChemistryStereoisomerismMelianthus comosusbiology.organism_classificationAntineoplastic Agents Phytogenic0104 chemical sciencesBufanolidesPlant Leaves010404 medicinal & biomolecular chemistryBreast cancer cellsDrug Screening Assays AntitumorTwo-dimensional nuclear magnetic resonance spectroscopyBioorganic chemistry
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Naphthalene Derivatives from the Roots of Pentas parvifolia and Pentas bussei

2016

The phytochemical investigation of the CH2Cl2/MeOH (1:1) extract of the roots of Pentas parvifolia led to the isolation of three new naphthalenes, parvinaphthols A (1), B (2), and C (3), two known anthraquinones, and five known naphthalene derivatives. Similar investigation of the roots of Pentas bussei afforded a new polycyclic naphthalene, busseihydroquinone E (4), a new 2,2'-binaphthralenyl-1,1'-dione, busseihydroquinone F (5), and five known naphthalenes. All purified metabolites were characterized by NMR and MS data analyses, whereas the absolute configurations of 3 and 4 were determined by single-crystal X-ray diffraction studies. The E-geometry of compound 5 was supported by DFT-base…

StereochemistryPlasmodium falciparumPharmaceutical SciencePentasAnthraquinonesRubiaceaeCrystallography X-Ray010402 general chemistryPlant Roots01 natural sciencesAnalytical ChemistryAntimalarialsInhibitory Concentration 50chemistry.chemical_compoundBreast cancer cell lineDrug DiscoveryAnthraquinonesIc50 valuesHumansNuclear Magnetic Resonance Biomolecularta116naphthalene derivativesNaphthalenenaphthalenesPharmacologyPentasMolecular Structurebiology010405 organic chemistryOrganic Chemistryta1182Pentas parvifoliabiology.organism_classificationphytochemicals0104 chemical sciencesComplementary and alternative medicinechemistryPhytochemicalMolecular MedicineJournal of Natural Products
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Molecular Search of New Active Drugs AgainstToxoplasma Gondii

1999

Molecular connectivity has been applied to the search of new compounds with activity against the protozoan Toxoplasma gondii, using a stepwise linear discriminant analysis (SLDA) which is able to classify a compound according its activity either as active or as inactive. Among the selected compounds, andrographolide and dibenzotiophene sulfone stand out, both with IC50 values lower than 1 microgram/ml, which are comparable to these of drugs such as sulfamethoxazole, pyrimethamine and trimethoprim, with IC50 values equal to 1.1, 0.04 and 2.31 micrograms/ml, respectively. These results confirm the usefulness of our topological approach for the selection and design of new-lead drugs active aga…

SulfamethoxazoleAndrographolideAntiprotozoal AgentsToxoplasma gondiiBioengineeringGeneral MedicinePharmacologyBiologybiology.organism_classificationVirologyTrimethoprimSulfonechemistry.chemical_compoundPyrimethaminechemistryparasitic diseasesDrug DiscoveryIc50 valuesmedicineAnimalsMolecular MedicineToxoplasmamedicine.drugSAR and QSAR in Environmental Research
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Triterpenoid saponins from Polycarpaea corymbosa Lamk. var. eriantha Hochst.

2013

Abstract Four triterpenoid saponins (1–4) were isolated from Polycarpaea corymbosa Lamk. var. eriantha Hochst along with the known apoanagallosaponin IV (5). Their structures were elucidated by spectroscopic data analysis. Among the compounds 1, 3–5 which were evaluated for their cytotoxicity against three tumor cell lines (SW480, DU145 and EMT6), compound 1 exhibited cytotoxicity with IC50 values ranging from 4.61 to 22.61 μM, which was greater than that of etoposide. Compound 2 was tested only against SW480 and a cardiomyoblast cell line (H9c2), and was inactive.

biologyChemistryCaryophyllaceaeTumor cellsCaryophyllaceaePlant ScienceGeneral MedicineHorticultureSaponinsbiology.organism_classificationBiochemistryAntineoplastic Agents PhytogenicTriterpenesInhibitory Concentration 50TriterpenoidDU145Cell Line TumorPolycarpaea corymbosaBotanyIc50 valuesHumansCytotoxicityMolecular BiologyPhytochemistry
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Hydroquinone derivatives from the marine-derived fungus Gliomastix sp.

2017

Eight new hydroquinone derivatives, gliomastins A–D (1–4), 9-O-methylgliomastin C (5), acremonin A 1-O-β-D-glucopyranoside (6), gliomastin E 1-O-β-D-glucopyranoside (7), and 6′-O-acetyl-isohomoarbutin (8), together with seven known analogues were isolated from the marine-derived fungus Gliomastix sp. Their structures were elucidated by extensive spectroscopic analysis including 1D and 2D NMR measurements aided by DFT NMR calculations as well as MS data. TDDFT-ECD and OR calculations were performed to determine the absolute configurations of 1 and the aglycones of 6 and 7. Compound 1 features a novel skeleton, biogenetically derived from a Diels–Alder reaction between derivatives of 11 and 1…

biologyHydroquinone010405 organic chemistryStereochemistryGeneral Chemical EngineeringAlkaloidGliomastixGeneral ChemistryFungusbiology.organism_classification01 natural sciences0104 chemical sciencesMycobacterium tuberculosis010404 medicinal & biomolecular chemistrychemistry.chemical_compoundTermészettudományokchemistryIc50 valuesKémiai tudományokCytotoxicityTwo-dimensional nuclear magnetic resonance spectroscopyRSC Advances
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ChemInform Abstract: Synthesis of New 3-(3-Phenyl-isoxazol-5-yl) or 3-[(3-Phenyl-isoxazol-5-yl)amino] Substituted 4(3H)-Quinazolinone Derivatives wit…

2010

A novel series of 3-(3-phenyl-isoxazol-5-yl) or 3-[(3-phenyl-isoxazol-5-yl)amino] substituted 4(3H)-quinazolinone derivatives was synthesized. The compounds were tested for their antineoplastic activity in vitro against Raji (human Burkitt limphoma). K-562 (human chronic myelogeneous leukemia) and U937 (human histiocytic limphoma) cell lines. The most active quinazolinones showed IC50 values in the range 16-30 microM.

chemistry.chemical_compoundchemistryCell cultureStereochemistryIc50 valuesGeneral MedicineQuinazolinoneIn vitroChemInform
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Cytotoxic effects of individual and combined sterigmatocystin and nivalenol on liver hepatocellular carcinoma cells

2020

Abstract Since humans are exposed to different mycotoxins through daily intake, there is increasing concern about the adverse effects of the interactions between them. Cytotoxicity of sterigmatocystin (STE) and nivalenol (NIV) alone and in combination in human hepatocarcinoma (HepG2) cells was evaluated by MTT assay. Furthermore, ROS production and alteration of ΔΨm as mechanisms of action were assessed. Cells were treated with concentrations ranging from 0.15 to 5 μM for NIV and from 0.78 to 50 μM for STE individually and in binary combinations. The combination ratio between the mixture STE + NIV was 10:1. The IC50 values of NIV ranged from 0.96 to 0.66 μM, whereas no IC50 values were obta…

endocrine systemCarcinoma HepatocellularSterigmatocystinAntineoplastic AgentsPharmacologyToxicology03 medical and health scienceschemistry.chemical_compound0404 agricultural biotechnologyIc50 valuesmedicineHumansCytotoxic T cellMTT assayCytotoxicityMycotoxinAdverse effect030304 developmental biology0303 health sciencesMolecular StructureLiver NeoplasmsDrug SynergismHep G2 Cells04 agricultural and veterinary sciencesGeneral Medicinemedicine.disease040401 food sciencechemistryHepatocellular carcinomaTrichothecenesFood ScienceSterigmatocystinFood and Chemical Toxicology
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Synthesis and Antiproliferative Activity of 2,5-bis(3′-Indolyl)pyrroles, Analogues of the Marine Alkaloid Nortopsentin

2013

2,5-bis(3′-Indolyl)pyrroles, analogues of the marine alkaloid nortopsentin, were conveniently prepared through a three step procedure in good overall yields. Derivatives 1a and 1b exhibited concentration-dependent antitumor activity towards a panel of 42 human tumor cell lines with mean IC50 values of 1.54 μM and 0.67 μM, respectively. Investigating human tumor xenografts in an ex-vivo clonogenic assay revealed selective antitumor activity, whereas sensitive tumor models were scattered among various tumor histotypes.

ex-vivo xenograftsIndolesStereochemistryPharmaceutical ScienceMice NudeAntineoplastic AgentsArticleInhibitory Concentration 50MiceCell Line TumorNeoplasmsDrug Discoverybis-indolyl-pyrroles; nortopsentin analogues; marine alkaloids; antitumor; <i>ex-vivo </i>xenograftsIc50 valuesAnimalsHumansnortopsentin analoguePyrrolesClonogenic assayPharmacology Toxicology and Pharmaceutics (miscellaneous)lcsh:QH301-705.5Tumor Stem Cell AssayMice nudeantitumorAntitumor activityDose-Response Relationship DrugChemistryAlkaloidbis-indolyl-pyrroles; nortopsentin analogues; marine alkaloids; antitumor; ex-vivo xenograftsImidazolesTumor Stem Cell AssaySettore CHIM/08 - Chimica FarmaceuticaXenograft Model Antitumor Assaysbis-indolyl-pyrrolemarine alkaloidHuman tumornortopsentin analogueslcsh:Biology (General)Cell culturebis-indolyl-pyrrolesmarine alkaloidsMarine Drugs
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Synthesis and biological evaluation of novel peptidomimetics as rhodesain inhibitors

2016

Novel rhodesain inhibitors were developed by combining an enantiomerically pure 3-bromoisoxazoline warhead with a 1,4-benzodiazepine scaffold as specific recognition moiety. All compounds were proven to inhibit rhodesain with Ki values in the low-micromolar range. Their activity towards rhodesain was found to be coupled to an in vitro antitrypanosomal activity, with IC50 values ranging from the mid-micromolar to a low-micromolar value for the most active rhodesain inhibitor (R,S,S)-3. All compounds showed a good selectivity against the target enzyme since all of them were proven to be poor inhibitors of human cathepsin L. Novel rhodesain inhibitors were developed by combining an enantiomeri…

rhodesainPharmacologychemistry.chemical_classificationCathepsinPeptidomimetic010405 organic chemistryChemistryPeptidomimeticProton Magnetic Resonance SpectroscopyenPeptidomimetics; rhodesain; trypanosomaGeneral Medicine01 natural sciencesCombinatorial chemistryIn vitro0104 chemical sciencesCysteine Endopeptidases010404 medicinal & biomolecular chemistryEnzymeDrug DiscoveryIc50 valuesMoietyPeptidomimeticsCarbon-13 Magnetic Resonance SpectroscopytrypanosomaBiological evaluationJournal of Enzyme Inhibition and Medicinal Chemistry
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