Search results for " medicinal"

showing 10 items of 590 documents

Computational identification of chemical compounds with potential anti-Chagas activity using a classification tree

2021

Chagas disease is endemic to 21 Latin American countries and is a great public health problem in that region. Current chemotherapy remains unsatisfactory; consequently the need to search for new drugs persists. Here we present a new approach to identify novel compounds with potential anti-chagasic action. A large dataset of 584 compounds, obtained from the Drugs for Neglected Diseases initiative, was selected to develop the computational model. Dragon software was used to calculate the molecular descriptors and WEKA software to obtain the classification tree. The best model shows accuracy greater than 93.4% for the training set; the tree was also validated using a 10-fold cross-validation p…

Chagas diseaseComputer scienceTrypanosoma cruziAntiprotozoal AgentsQuantitative Structure-Activity RelationshipBioengineeringLigandsMachine learningcomputer.software_genre01 natural sciencesConstant false alarm rateSoftwareMolecular descriptorDrug DiscoveryChagas Diseaseclassification treeVirtual screeningMolecular Structure010405 organic chemistrybusiness.industryDecision tree learningGeneral Medicinevirtual screening0104 chemical sciences010404 medicinal & biomolecular chemistryIdentification (information)Tree (data structure)Anti-chagasic actionTest setMolecular MedicineArtificial intelligencebusinesscomputerSoftware
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Junceosides A-C, new triterpene saponins from Arenaria juncea.

2002

Three novel triterpenoid saponins, junceosides A (1), B (2), and C (3), together with two known saponins have been isolated from the roots of Arenaria juncea. Their structures were elucidated using a combination of homo- and heteronuclear 2D NMR techniques (COSY, TOCSY, NOESY, HSQC, and HMBC) and by FABMS. The new compounds were characterized as 3-O-alpha-L-arabinopyranosyl-(1-->2)-[beta-D-galactopyranosyl-(1-->3)]-beta-D-glucuronopyranosylgypsogenin-28-O-beta-D-glucopyranosyl(1-->3)-[beta-D-xylopyranosyl-(1-->4)]-alpha-L-rhamnopyranosyl-(1-->2)-beta-D-fucopyranoside (1), 3-O-alpha-L-arabinopyranosyl-(1-->2)-[beta-D-galactopyranosyl-(1-->3)]-beta-D-glucuronopyranosylgypsogenin-28-O-beta-D-x…

Chemical PhenomenaSpectrophotometry InfraredStereochemistrySaponinPharmaceutical ScienceCaryophyllaceaeUronic acidPlant RootsAnalytical Chemistrychemistry.chemical_compoundTriterpeneDrug DiscoveryTetrasaccharideTrisaccharideOleanolic AcidPharmacologychemistry.chemical_classificationPlants MedicinalMolecular StructureChemistry PhysicalHydrolysisOrganic ChemistrySaponinsTriterpenesXylosideComplementary and alternative medicinechemistryHeteronuclear moleculeMolecular MedicineChromatography Thin LayerTwo-dimensional nuclear magnetic resonance spectroscopyDrugs Chinese HerbalJournal of natural products
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Hypolaetin-8-O-Glucoside, An Anti-inflammatory Flavonoid from Sideritis mugronensis.

1985

Chemical Phenomenamedicine.drug_classFlavonoidAnti-Inflammatory AgentsPharmaceutical ScienceAnti-inflammatoryAnalytical Chemistrychemistry.chemical_compoundGlucosideDrug DiscoverymedicinePharmacologychemistry.chemical_classificationFlavonoidsPlants MedicinalTraditional medicinebiologyChemistryOrganic Chemistrybiology.organism_classificationChemistryComplementary and alternative medicineSpainHypolaetinSideritisMolecular MedicinePlanta medica
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Cytotoxicity and antileishmanial activity of Annona muricata pericarp

2000

Abstract Hexane, ethyl acetate and methanol extracts of Annona muricata pericarp were tested in vitro against Leishmania braziliensis and L. panamensis promastigotes, and against cell line U-937. The ethyl acetate extract was more active than the other extracts and even of Glucantime® used as reference substance. Its fractionation led to the isolation of three acetogenins — annonacin, annonacin A and annomuricin A.

Chemical structureAntiprotozoal AgentsEthyl acetateAnnonacinFractionationCell LineLactoneschemistry.chemical_compound4-ButyrolactoneDrug DiscoveryAnimalsHumansFuransMedicinal plantsCytotoxicityAnnona muricataLeishmaniaPharmacologyPlants MedicinalbiologyTraditional medicinePlant ExtractsGeneral Medicinebiology.organism_classificationLeishmania braziliensischemistryBiochemistryFitoterapia
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Cytotoxic Spirostane-Type Saponins from the Roots of Chlorophytum borivilianum

2009

Four new spirostane-type saponins named borivilianosides E-H (1-4) were isolated from an ethanol extract of the roots of Chlorophytum borivilianum together with two known steroid saponins (5 and 6). The structures of 1-4 were elucidated using mainly 2D NMR spectroscopic techniques and mass spectrometry. The cytotoxicity of borivilianosides F (2), G (3), and H (4) and three known compounds was evaluated using two human colon cancer cell lines (HT-29 and HCT 116).

Chemical structureIndiaPharmaceutical SciencePharmacologyPlant RootsAnalytical ChemistrySteroid SaponinsDrug DiscoverySpirostansHumansCytotoxic T cellMedicinal plantsCytotoxicityNuclear Magnetic Resonance BiomolecularAsparagaceaePharmacologyPlants MedicinalMolecular StructurebiologyTraditional medicineChemistryOrganic ChemistrySaponinsbiology.organism_classificationAntineoplastic Agents PhytogenicHuman colon cancerComplementary and alternative medicineChlorophytum borivilianumMolecular MedicineDrug Screening Assays AntitumorTwo-dimensional nuclear magnetic resonance spectroscopyJournal of Natural Products
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Eight-membered heterocycles with two heteroatoms in a 1,3-relationship of interest in medicinal chemistry

2022

This chapter deals with 1,3-diheterocines, eight-membered heterocyclic systems with two heteroatoms, N, O and S, in a 1,3 relationship, exhibiting biological properties and exhaustively covers the literature from 2007 to the end of November 2019. The biological results of 1,3-diazocines, 1,3-oxazocines, 1,3-dioxocins and 1,3-thiazocines, that are the largest class of 1,3-diheterocines, were collected together with the few results available for 1,3-oxathiocin and 1,3-dithiocin derivatives at that time.

ChemistryHeteroatomEight-membered heterocycles with two heteroatoms 13 Medicinal chemistry Biological activity 13-Diazocines 13-Oxazocines 13-Thiazocines 13-Dioxocins 13-Oxathiocins 13-DithiocinsSettore CHIM/08 - Chimica FarmaceuticaMedicinal chemistry
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Taxonomic Identity, Geographic Distribution, and Commercial Exploitation of the Culinary-Medicinal Mushroom Pleurotus nebrodensis (Basidiomycetes)

2016

An updated overview of the outcome of studies conducted on the culinary-medicinal mushroom Pleurotus nebrodensis is presented by placing emphasis on the clarification of the taxonomic identity of P. nebrodensis and other related taxa possessing entirely white to cream basidiomes, which grow in association with different plants of the family Apiaceae. Cultivation techniques, quality of the product sold and sales price, as well as nutritional and medicinal aspects are discussed. Taking also into consideration the high economic importance of P. nebrodensis, it is essential to proceed with the verification of the commercial strains currently available in the international market under the name …

ChinaIdentity (social science)010501 environmental sciencesBiologyPleurotusDNA Ribosomal01 natural sciencesApplied Microbiology and Biotechnologymedicinal and edible mushrooms fungal taxonomy medicinal use Umbellifers Pleurotus nebrodensisMedicinal mushroomSpecies Specificity0502 economics and businessDrug DiscoveryBotanyHumansDNA FungalPhylogeny0105 earth and related environmental sciencesPharmacologyPleurotus nebrodensisBiological ProductsMushroomGeographyGreeceSettore BIO/02 - Botanica Sistematica05 social sciencesFungal geneticsbiology.organism_classificationGeographic distributionTaxonItalyFoodSettore BIO/03 - Botanica Ambientale E ApplicataSale price050203 business & managementInternational Journal of Medicinal Mushrooms
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Sesterterpenes and macrolide derivatives from the endophytic fungus Aplosporella javeedii.

2020

Abstract Five sesterterpenes (1–5) including two new compounds (1 and 2), as well as a new (6) and a known macrolide (7) were isolated from the endophytic fungus Aplosporella javeedii. The structures of the new compounds were elucidated by analysis of their 1D and 2D NMR and HRMS data as well as by comparison with the literature. Compound 4 and its acetyl derivatives 4a, 4b, 4c which were prepared by acetylation of 4 exhibited moderate cytotoxicity against the mouse lymphoma cell line L5178Y with IC50 values ranging from 6.2 to 12.8 μM, respectively. Moreover, 4a and 4c exhibited also cytotoxicity against human leukemia (Jurkat J16) and lymphoma (Ramos) cell lines. Compound 7 showed strong …

ChinaStaphylococcus aureusSesterterpenesAntineoplastic AgentsApoptosismedicine.disease_cause01 natural sciencesJurkat cellsSesterterpenesMiceStructure-Activity RelationshipAscomycotaCell Line TumorDrug DiscoverymedicineEndophytesAnimalsHumansCytotoxicityPharmacologyMolecular Structure010405 organic chemistryChemistryGeneral MedicineMolecular biology0104 chemical sciencesAnti-Bacterial Agents010404 medicinal & biomolecular chemistryStaphylococcus aureusCell cultureAcetylationBrassicaceaeMacrolidesAntibacterial activityTwo-dimensional nuclear magnetic resonance spectroscopyFitoterapia
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A battery of toxicity tests as indicators of decontamination in composting oily waste.

2000

Heterogeneous oily waste from an old dumping site was composted in three windrows constructed from different proportions of waste, sewage sludge, and bark. The objectives of this pilot study were to examine the usefulness of composting as a treatment method for this particular waste and to study decontamination in the composting process by using a battery of toxicity tests. Five samples from the windrow having intermediate oil concentrations were tested with toxicity tests based on microbes (Pseudomonas putida growth inhibition test, ToxiChromotest, MetPLATE, and three different modifications of a luminescent bacterial test), enzyme inhibition (reverse electron transport), plants (duckweed …

ChlorophyllHealth Toxicology and MutagenesisPlant DevelopmentGerminationcomplex mixturesWindrowBioremediationPseudomonasEscherichia coliBioassayAnimalsSoil PollutantsDecontaminationSewage sludgeOrganellesPlants MedicinalEnchytraeusbiologyChemistryPublic Health Environmental and Occupational HealthFabaceaeGeneral MedicineHuman decontaminationPlantsbiology.organism_classificationPollutionInvertebratesWaste treatmentPetroleumMetalsEnvironmental chemistryToxicityLuminescent MeasurementsColorimetryDNA DamageEcotoxicology and environmental safety
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Biologically Active Triterpene Saponins from Callus Tissue of Polygala amarella

1999

A new bioactive saponin (1), together with a known saponin (polygalasaponin XXVIII) has been isolated from the callus tissue culture of Polygala amarella. Based on spectroscopic data, especially direct and long-range heteronuclear 2D NMR analysis and on chemical transformations, the structure of 1 was elucidated as 3-O-beta-D-glucopyranosyl presenegenin-28-O-beta-D-galactopyranosyl-(1 --> 3)-beta-D-xylopyranosyl-(1 --> 4)-alpha-L-rhamnopyranosyl-(1 --> 2)-[beta-D-glucopyranosyl-(1 --> 3)]-beta-D-fucopyranoside. Both saponins showed significant immunological properties based on the enhancement of granulocyte phagocytosis in vitro.

Chromatography GasMagnetic Resonance SpectroscopySpectrophotometry InfraredStereochemistryMolecular Sequence DataSaponinPharmaceutical ScienceIn Vitro TechniquesSpectrometry Mass Fast Atom BombardmentAnalytical ChemistryTissue cultureAdjuvants ImmunologicPhagocytosisTriterpeneDrug DiscoveryHumansOleanolic AcidPharmacologychemistry.chemical_classificationPlants MedicinalbiologyChemistryHydrolysisOrganic ChemistryGlycosideSaponinsmusculoskeletal systembiology.organism_classificationTerpenoidEuropecarbohydrates (lipids)Polygala amarellaCarbohydrate SequenceComplementary and alternative medicineBiochemistryCallusSeedsMolecular MedicineSpectrophotometry UltravioletPolygalaceaeGranulocytesJournal of Natural Products
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