Search results for "Molecular structure"

showing 10 items of 1246 documents

Self-assembled multivalent (SAMul) ligand systems with enhanced stability in the presence of human serum

2019

Self-assembled cationic micelles are an attractive platform for binding biologically-relevant polyanions such as heparin. This has potential applications in coagulation control, where a synthetic heparin rescue agent could be a useful replacement for protamine, which is in current clinical use. However, micelles can have low stability in human serum and unacceptable toxicity profiles. This paper reports the optimi- sation of self-assembled multivalent (SAMul) arrays of amphiphilic ligands to bind heparin in competitive conditions. Specifically, modification of the hydrophobic unit kinetically stabilises the self-assembled nanostructures, preventing loss of binding ability in the presence of…

02 engineering and technologyheparinLigands01 natural sciencesMicelleGeneral Materials ScienceMicellesnanomaterialsMolecular StructurenanotechnologybiologyChemistrybiomaterialself-assemblyHeparinsimulation021001 nanoscience & nanotechnologyCholesterolhydrolysisThermodynamics0210 nano-technologyHydrophobic and Hydrophilic Interactionsbiomaterialsmedicine.drugBiocompatibilityCell Survivalmicellesexperimental characterizationserum albuminBiomedical EngineeringSerum albuminself-assembly; nanotechnology; biomaterials; simulation; experimental characterization010402 general chemistrySurface-Active Agentsthermodynamicsbiocompatibilitytoxicity testingAmphiphilemedicineHumansMTT assaycoagulationhydrophobicityHeparinLigandligandscholesteroltoxicitybinding capacityProtaminemolecular dynamicsNanostructures0104 chemical sciencesKineticsblood serumbiology.proteinBiophysicshuman cell linesanions
researchProduct

Bridged Epipolythiodiketopiperazines from Penicillium raciborskii, an Endophytic Fungus of Rhododendron tomentosum Harmaja

2016

Three new epithiodiketopiperazine natural products [outovirin A (1), outovirin B (2), and outovirin C (3)] resembling the antifungal natural product gliovirin have been identified in extracts of Penicillium raciborskii, an endophytic fungus isolated from Rhododendron tomentosum. The compounds are unusual for their class in that they possess sulfide bridges between α- and β-carbons rather than the typical α-α bridging. To our knowledge, outovirin A represents the first reported naturally produced epimonothiodiketopiperazine, and antifungal outovirin C is the first reported trisulfide gliovirin-like compound. This report describes the identification and structural elucidation of the compounds…

0301 basic medicineAntifungalAntifungal AgentsRhododendronnatural productsmedicine.drug_classPenicillium raciborskiiRhododendron tomentosumPharmaceutical ScienceBiology01 natural sciencesPiperazinesAnalytical Chemistry03 medical and health scienceschemistry.chemical_compoundDrug DiscoveryBotanymedicinePenicillium raciborskiiNuclear Magnetic Resonance Biomolecularta317PharmacologyNatural productMolecular Structure010405 organic chemistryOrganic ChemistryPenicilliumta1182Rhododendron tomentosumEndophytic fungusepipolythiodiketopiperazinesbiology.organism_classification3. Good health0104 chemical sciences030104 developmental biologyComplementary and alternative medicinechemistryMolecular MedicineRhododendron tomentosum HarmajaOutovirin CantifungalsJournal of Natural Products
researchProduct

Novel iodoacetamido benzoheterocyclic derivatives with potent antileukemic activity are inhibitors of STAT5 phosphorylation

2016

Signal Transducer and Activator of Transcription 5 (STAT5) protein, a component of the STAT family of signaling proteins, is considered to be an attractive therapeutic target because of its involvement in the progression of acute myeloid leukemia. In an effort to discover potent molecules able to inhibit the phosphorylation-activation of STAT5, twenty-two compounds were synthesized and evaluated on the basis of our knowledge of the activity of 2-(3’,4’,5’-trimethoxybenzoyl)-3-iodoacetamido-6-methoxy benzo[b]furan derivative 1 as a potent STAT5 inhibitor. Most of these molecules, structurally related to compound 1, were characterized by the presence of a common 3’,4’,5’-trimethoxybenzoyl moi…

0301 basic medicineApoptosisAntineoplastic Agentchemistry.chemical_compoundBenzophenone0302 clinical medicinehemic and lymphatic diseasesFuranDrug DiscoverySTAT5 Transcription FactorTumor Cells CulturedThiopheneMoietyPhosphorylationSTAT5Molecular StructurebiologyChemistryBiological activityGeneral MedicineApoptosis; BCR/ABL expressing leukemia; In vitro antiproliferative activity; STAT5 inhibitors; Structure-activity relationship; Drug Discovery3003 Pharmaceutical Science; Organic Chemistry; PharmacologyLeukemia Myeloid Acute030220 oncology & carcinogenesisBCR/ABL expressing leukemiaApoptosis; BCR/ABL expressing leukemia; In vitro antiproliferative activity; STAT5 inhibitors; Structure-activity relationship; Antineoplastic Agents; Apoptosis; Benzofurans; Benzophenones; Cell Proliferation; Dose-Response Relationship Drug; Drug Screening Assays Antitumor; Humans; K562 Cells; Leukemia Myeloid Acute; Molecular Structure; Phosphorylation; STAT5 Transcription Factor; Structure-Activity Relationship; Tumor Cells Cultured; Drug Discovery3003 Pharmaceutical Science; Organic Chemistry; PharmacologyHumanStereochemistryAntineoplastic AgentsArticleNOBenzophenones03 medical and health sciencesK562 CellHumansStructure–activity relationshipBenzofuransCell ProliferationPharmacologyIndole testDose-Response Relationship DrugIn vitro antiproliferative activitySTAT5 inhibitorsDrug Discovery3003 Pharmaceutical ScienceOrganic ChemistryApoptosiSTAT5 inhibitorStructure-activity relationshipIn vitro030104 developmental biologybiology.proteinBenzofuranDrug Screening Assays AntitumorK562 Cells
researchProduct

Prevention of carcinogenesis and metastasis by Artemisinin-type drugs.

2018

Artemisia annua (sweet wormwood, qinhao) is an ancient Chinese herbal remedy for pyrexia. Nowadays, artemisinin (qinghaosu) and its derivatives belong to the standard therapies against malaria worldwide, and its discovery has led to the Nobel Prize in Physiology and Medicine to Youyou Tu in 2015. While most attention has been paid to the treatment of malaria, there is increasing evidence that Artemisinin-type drugs bear a considerable potential to treat and prevent cancer. Rather than reporting on therapy of cancer, this review gives a comprehensive and timely overview on the chemopreventive effects of artemisinin and its derivatives against carcinogenesis and metastasis formation, followin…

0301 basic medicineCancer ResearchCarcinogenesisArtemisia annuaCancer metastasisArtemisia annuaBioinformaticsmedicine.disease_causeMetastasis03 medical and health sciencesAntimalarials0302 clinical medicineNeoplasmsparasitic diseasesmedicineHumansArtemisininNeoplasm MetastasisToxicity profileClinical Trials as TopicbiologyMolecular Structurebusiness.industryCancermedicine.diseasebiology.organism_classificationArtemisinins030104 developmental biologyOncology030220 oncology & carcinogenesisCarcinogenesisbusinessMalariamedicine.drugPhytotherapyCancer letters
researchProduct

Relevance of the natural HDAC inhibitor sulforaphane as a chemopreventive agent in urologic tumors.

2018

Due to an increased understanding of molecular biology and the genomics of cancer, new and potent agents have been approved by the Food and Drug Administration (FDA) to fight this disease. However, all of these drugs cause severe side effects and resistance inevitably develops, re-activating tumor growth and dissemination. For this reason, patients turn to natural compounds as alternative or complementary treatment options, since it has been found that natural plant products may block, inhibit, or reverse cancer development. The present review focusses on the role of the natural compound sulforaphane (SFN) as an anti-tumor agent in urologic cancer. SFN is a natural compound found in crucife…

0301 basic medicineCancer ResearchUrologic NeoplasmsApoptosisDisease03 medical and health scienceschemistry.chemical_compound0302 clinical medicineIn vivoIsothiocyanatesCell Line TumorHDAC inhibitorMedicineAnticarcinogenic AgentsHumansEpigeneticsMode of actionBiological ProductsMolecular Structurebusiness.industryCruciferous vegetablesCancermedicine.diseaseHistone Deacetylase Inhibitors030104 developmental biologyOncologychemistry030220 oncology & carcinogenesisSulfoxidesBrassicaceaeCancer researchbusinessSulforaphaneCancer letters
researchProduct

Cytotoxic benzylbenzofuran derivatives from Dorstenia kameruniana

2018

Abstract Chromatographic separation of the extract of the roots of Dorstenia kameruniana (family Moraceae) led to the isolation of three new benzylbenzofuran derivatives, 2-(p-hydroxybenzyl)benzofuran-6-ol (1), 2-(p-hydroxybenzyl)-7-methoxybenzofuran-6-ol (2) and 2-(p-hydroxy)-3-(3-methylbut-2-en-1-yl)benzyl)benzofuran-6-ol(3) (named dorsmerunin A, B and C, respectively), along with the known furanocoumarin, bergapten (4). The twigs of Dorstenia kameruniana also produced compounds 1–4 as well as the known chalcone licoagrochalcone A (5). The structures were elucidated by NMR spectroscopy and mass spectrometry. The isolated compounds displayed cytotoxicity against the sensitive CCRF-CEM and …

0301 basic medicineChalconeStereochemistryMoraceaeBergapten03 medical and health sciencesFuranocoumarinchemistry.chemical_compound0302 clinical medicineCell Line TumorDrug DiscoveryHumansCytotoxicityIC50Institut für Biochemie und BiologieBenzofuransPharmacologyMolecular StructurebiologyGeneral MedicineNuclear magnetic resonance spectroscopyMoraceaebiology.organism_classificationAntineoplastic Agents PhytogenicDrug Resistance Multiple030104 developmental biologychemistryDrug Resistance NeoplasmCell culture030220 oncology & carcinogenesisddc:540Fitoterapia
researchProduct

Anti-inflammatory tetraquinane diterpenoids from a Crinipellis species.

2016

The small pro-inflammatory 10kDa chemokine CXCL10 (Interferon-inducible protein 10, IP-10) plays an important role in mediating immune responses through the activation and recruitment of leukocytes such as T cells, eosinophils, monocytes and NK cells to the sites of inflammation. Elevated levels of CXCL10 have been associated with chronic inflammatory and infectious diseases and therefore CXCL10 represents an attractive target for the development of new anti-inflammatory drugs. In a search for anti-inflammatory compounds from fungi inhibiting the inducible CXCL10 promoter activity, four new tetraquinane diterpenoids, crinipellin E (1), crinipellin F (2), crinipellin G (3) and crinipellin H …

0301 basic medicineChemokinemedicine.drug_classClinical BiochemistryPharmaceutical ScienceInflammation010402 general chemistry01 natural sciencesBiochemistryAnti-inflammatory03 medical and health sciencesStructure-Activity RelationshipImmune systemDrug DiscoverymedicineCXCL10HumansMolecular BiologyCells CulturedbiologyDose-Response Relationship DrugMolecular StructureChemistryOrganic ChemistryAnti-Inflammatory Agents Non-SteroidalBiological activityNuclear magnetic resonance spectroscopyTransfectionMolecular biology0104 chemical sciencesChemokine CXCL10030104 developmental biologyBiochemistrybiology.proteinMolecular Medicinemedicine.symptomDiterpenesAgaricalesBioorganicmedicinal chemistry
researchProduct

Formation of 2-nitrophenol from salicylaldehyde as a suitable test for low peroxynitrite fluxes

2016

There has been some dispute regarding reaction products formed at physiological peroxynitrite fluxes in the nanomolar range with phenolic molecules, when used to predict the behavior of protein-bound aromatic amino acids like tyrosine. Previous data showed that at nanomolar fluxes of peroxynitrite, nitration of these phenolic compounds was outcompeted by dimerization (e.g. biphenols or dityrosine). Using 3-morpholino sydnonimine (Sin-1), we created low fluxes of peroxynitrite in our reaction set-up to demonstrate that salicylaldehyde displays unique features in the detection of physiological fluxes of peroxynitrite, yielding detectable nitration but only minor dimerization products. By mean…

0301 basic medicineClinical BiochemistryPhotochemistryBiochemistryAdductNitrophenols03 medical and health scienceschemistry.chemical_compoundddc:570NitrationPeroxynitrous AcidAromatic amino acidsLeukocytesOrganic chemistryMoleculeHumansTyrosinelcsh:QH301-705.5Chromatography High Pressure Liquidlcsh:R5-920AldehydesMolecular StructureOrganic ChemistryPeroxynitrous acid030104 developmental biologylcsh:Biology (General)chemistrySalicylaldehydelcsh:Medicine (General)PeroxynitriteResearch PaperRedox Biology
researchProduct

GW-Bodies and P-Bodies Constitute Two Separate Pools of Sequestered Non-Translating RNAs

2015

Non-translating RNAs that have undergone active translational repression are culled from the cytoplasm into P-bodies for decapping-dependent decay or for sequestration. Organisms that use microRNA-mediated RNA silencing have an additional pathway to remove RNAs from active translation. Consequently, proteins that govern microRNA-mediated silencing, such as GW182/Gw and AGO1, are often associated with the P-bodies of higher eukaryotic organisms. Due to the presence of Gw, these structures have been referred to as GW-bodies. However, several reports have indicated that GW-bodies have different dynamics to P-bodies. Here, we use live imaging to examine GW-body and P-body dynamics in the early …

0301 basic medicineCytoplasmEmbryologyTranscription GeneticMolecular biologylcsh:MedicineGene ExpressionRNA-binding proteinsRNA-binding proteinBiochemistryBlastulas0302 clinical medicineRNA interferenceDrosophila ProteinsCell Cycle and Cell DivisionSmall nucleolar RNAlcsh:ScienceRNA structureGeneticsMultidisciplinaryDrosophila MelanogasterAnimal ModelsArgonauteLong non-coding RNACell biologyInsectsNucleic acidsRNA silencingCell ProcessesArgonaute ProteinsRNA InterferenceRNA Long NoncodingDrosophilaCellular Structures and OrganellesResearch ArticleArthropodaBiologyResearch and Analysis Methods03 medical and health sciencesModel OrganismsP-bodiesGeneticsAnimalsBlastodermlcsh:REmbryosOrganismsBiology and Life SciencesProteinsRNACell BiologyInvertebratesMicroRNAsMacromolecular structure analysis030104 developmental biologyProtein BiosynthesisRNAlcsh:QProtein Translation030217 neurology & neurosurgeryDevelopmental BiologyPLOS ONE
researchProduct

Drugs Polypharmacology by in Silico Methods: New Opportunities in Drug Discovery

2016

Background Polypharmacology, defined as the modulation of multiple proteins rather than a single target to achieve a desired therapeutic effect, has been gaining increasing attention since 1990s, when industries had to withdraw several drugs due to their adverse effects, leading to permanent injuries or death, with multi-billiondollar legal damages. Therefore, if up to then the "one drug one target" paradigm had seen many researchers interest focused on the identification of selective drugs, with the strong expectation to avoid adverse drug reactions (ADRs), very recently new research strategies resulted more appealing even as attempts to overcome the decline in productivity of the drug dis…

0301 basic medicineDrugPolypharmacologymedia_common.quotation_subjectIn silicoNanotechnology03 medical and health sciencesBiological and chemical databases computational methods Drugs multitarget activity polypharmacology repurposingDrug DiscoveryMedicineHumansComputer SimulationPolypharmacologyRepurposingmedia_commonPharmacologyMolecular Structurebusiness.industryDrug discoveryDrug repositioningIdentification (information)030104 developmental biologyRisk analysis (engineering)businessChemical databaseSoftware
researchProduct