Search results for "I.5"

showing 10 items of 399 documents

Steroidal saponins from Raphia vinifera and their cytotoxic activity

2020

Abstract Phytochemical analysis of the fruits of Raphia vinifera led to the isolation of four new steroidal saponins (1–4), along with six known secondary metabolites (6–10). The structures of the isolated compounds were determined based on the analyses of NMR and mass spectrometric data, and chemical degradation reactions. Among the compounds tested, 1 and 4 showed the most promising cytotoxic activity against the drug-sensitive CCRF-CEM leukemia cell lines, with IC50 values of 3.55 µM and 7.14 µM, respectively.

Models MolecularClinical BiochemistryMolecular ConformationAntineoplastic Agents030209 endocrinology & metabolismArecaceaeBiochemistryLeukemia cell line03 medical and health sciences0302 clinical medicineEndocrinologyCell Line TumorIc50 valuesHumansCytotoxic T cellCytotoxicityMolecular BiologyPharmacologybiologyChemistryOrganic ChemistrySaponinsbiology.organism_classificationMass spectrometricRaphia viniferaPhytochemicalBiochemistry030220 oncology & carcinogenesisSteroidsSteroids
researchProduct

Design, synthesis, and SAR analysis of cytotoxic sinapyl alcohol derivatives.

2005

Five series totalling 51 of sinapyl alcohol derivatives were designed and synthesized. Their cytotoxicity analyses were performed oil six human tumor cell lines Such as PC-3. CNE, KB, A549, BEL-7404, and HeLa. Certain sinapyl alcohol derivatives showed significant cytotoxic activities. Compound 14d exhibited especially potent cytotoxicity against the BEL-7404 cell line with an IC50 value of 0.7 mu M, which showed more cytotoxic activity than the positive control, cisplatin. The structure-cytotoxicity relationships were discussed and the CoMFA analysis was performed using the cytotoxic data against HeLa cells as a template. (c) 2005 Elsevier Ltd. All rights reserved.

Models MolecularClinical BiochemistryPharmaceutical ScienceQuantitative Structure-Activity RelationshipAntineoplastic AgentsBiochemistryChemical synthesisHeLachemistry.chemical_compoundInhibitory Concentration 50Cell Line TumorDrug DiscoveryElectrochemistryCytotoxic T cellHumansCytotoxicityMolecular BiologyIC50biologyPhenylpropionatesOrganic Chemistrybiology.organism_classificationIn vitroSinapyl alcoholchemistryBiochemistryCell cultureDrug DesignMolecular MedicineDrug Screening Assays AntitumorHeLa CellsBioorganicmedicinal chemistry
researchProduct

Synthesis, Anti-Inflammatory Activity, and in Vitro Antitumor Effect of a Novel Class of Cyclooxygenase Inhibitors: 4-(Aryloyl)phenyl Methyl Sulfones

2010

Following our previous research on anti-inflammatory drugs (NSAIDs), we report on the design and synthesis of 4-(aryloyl)phenyl methyl sulfones. These substances were characterized for their capacity to inhibit cyclooxygenase (COX-1 and COX-2) isoenzymes. Molecular modeling studies showed that the methylsulfone group of these compounds was inserted deep in the pocket of the human COX-2 binding site, in an orientation that precludes hydrogen bonding with Arg120, Ser353, and Tyr355 through their oxygen atoms. The N-arylindole 33 was the most potent inhibitor of COX-2 and also the most selective (COX-1/COX-2 IC(50) ratio was 262). The indole derivative 33 was further tested in vivo for its ant…

Models MolecularIndolesMolecular modelCell SurvivalStereochemistrymedicine.drug_classAntineoplastic AgentsAnti-inflammatoryStructure-Activity RelationshipIn vivoCell Line TumorDrug DiscoverymedicineAnimalsHumansCyclooxygenase InhibitorsSulfonesBinding siteIC50Cell ProliferationIndole testCyclooxygenase 2 InhibitorsbiologyChemistryStereoisomerismSettore CHIM/08 - Chimica FarmaceuticaIn vitroRats4-(Aryloyl)phenyl methyl sulfones anti-inflammatory activity antitumor effect COX-1/COX-2 selectivityCyclooxygenase 1biology.proteinThermodynamicsMolecular MedicineCyclooxygenaseDrug Screening Assays AntitumorHydrophobic and Hydrophilic InteractionsJournal of Medicinal Chemistry
researchProduct

Polyketide Derivatives from Mangrove Derived Endophytic Fungus Pseudopestalotiopsis theae

2020

Chemical investigation of secondary metabolites from the endophytic fungus Pseudopestalotiopsis theae led to the isolation of eighteen new polyketide derivatives, pestalotheols I&ndash

Models MolecularMagnetic Resonance SpectroscopyStereochemistryPharmaceutical Science010402 general chemistry01 natural sciencesArticlePolyketidepolyketideDrug DiscoverymedicineEndophytesCytotoxicityPharmacology Toxicology and Pharmaceutics (miscellaneous)IC50lcsh:QH301-705.5endophytic fungusbiologyMolecular Structure010405 organic chemistryChemistryAbsolute configurationFungibiology.organism_classification0104 chemical sciencesAcinetobacter baumanniiPseudopestalotiopsis theaelcsh:Biology (General)<i>Pseudopestalotiopsis theae</i>PolyketidesFermentationColistincytotoxicityRhizophoraceaeAntibacterial activityTwo-dimensional nuclear magnetic resonance spectroscopymedicine.drugMarine Drugs
researchProduct

The discovery of novel antitrypanosomal 4-phenyl-6-(pyridin-3-yl)pyrimidines

2021

Human African trypanosomiasis, or sleeping sickness, is a neglected tropical disease caused by Trypanosoma brucei rhodesiense and Trypanosoma brucei gambiense which seriously affects human health in Africa. Current therapies present limitations in their application, parasite resistance, or require further clinical investigation for wider use. Our work herein describes the design and syntheses of novel antitrypanosomal 4-phenyl-6-(pyridin-3-yl)pyrimidines, with compound 13, the 4-(2-methoxyphenyl)-6-(pyridine-3-yl)pyrimidin-2-amine demonstrating an IC50 value of 0.38 μM and a promising off-target ADME-Tox profile in vitro. In silico molecular target investigations showed rhodesain to be a pu…

Models MolecularTrypanosoma brucei rhodesiensepyrimidinessleeping sicknessIn silicoHuman african trypanosomiasis01 natural sciencesDockingCell Line03 medical and health sciencesantitrypanosomalDrug DiscoverymedicineAnimalsHumansAfrican trypanosomiasisIC50030304 developmental biologyrhodesainPharmacology0303 health sciences010405 organic chemistryChemistryDrug discoveryOrganic ChemistryAntitrypanosomalSleeping sicknessTrypanosoma brucei rhodesienseGeneral MedicineHuman African Trypanosomiasismedicine.diseaseTrypanocidal AgentsIn vitroRats0104 chemical sciencesPyrimidinesRhodesainTrypanosomiasis AfricanBiochemistryDrug developmentDocking (molecular)dockingADME-ToxResearch Paper
researchProduct

Virtual Combinatorial Syntheses and Computational Screening of New Potential Anti-Herpes Compounds

1999

The activity of new anti-HSV-1 chemical structures, designed by virtual combinatorial chemical synthesis and selected by a computational screening, is determined by an in vitro assay. A virtual library of phenol esters and anilides was formed from two databases of building blocks: one with carbonyl fragments and the other containing both substituted phenoxy and phenylamino fragments. The library of virtually assembled compounds was computationally screened, and those compounds which were selected by our mathematical model as active ones were finally synthesized and tested. Our antiviral activity model is a "tandem" of four linear functions of topological graph-theoretical descriptors. A giv…

Models Molecularmedicine.drug_classStereochemistryChemical structureCarboxamideHerpesvirus 1 HumanViral Plaque AssayAntiviral AgentsChemical synthesisInhibitory Concentration 50Structure-Activity RelationshipPhenolsChlorocebus aethiopsDrug DiscoverymedicineIc50 valuesAnimalsStructure–activity relationshipAnilidesVero Cellschemistry.chemical_classificationBicyclic moleculeTandemChemistryEstersDicarboxylic acidMolecular MedicineJournal of Medicinal Chemistry
researchProduct

Balanced dual acting compounds targeting aromatase and estrogen receptor α as an emerging therapeutic opportunity to counteract estrogen responsive b…

2021

Abstract Breast Cancer (BC) is a leading cause of death in women, currently affecting 13% of female population worldwide. First-line clinical treatments against Estrogen Receptor positive (ER+) BC rely on suppressing estrogen production, by inhibiting the aromatase (AR) enzyme, or on blocking estrogen-dependent pro-oncogenic signaling, by targeting Estrogen Receptor (ER) α with selective Modulators/Degraders (SERMs/SERDs). The development of dual acting molecules targeting AR and ERα represents a tantalizing alternative strategy to fight ER + BC, reducing the incidence of adverse effects and resistance onset that limit the effectiveness of these gold-standard therapies. Here, in silico desi…

Molecular dynamicAntineoplastic Agents Hormonalmedicine.drug_classIn silicoEstrogen receptorBreast NeoplasmsMolecular dynamicsQM/MMBreast cancerbreast cancerDrug DiscoverymedicineHumansAromataseIC50Pharmacologychemistry.chemical_classificationbiologyAromatase InhibitorsMultitargetOrganic ChemistryEstrogen AntagonistsAromatase inhibitorGeneral Medicinemedicine.diseaseSERMEnzymechemistryEstrogenCell cultureSettore CHIM/03 - Chimica Generale E InorganicaSERDbiology.proteinCancer researchFemale
researchProduct

Attivisti 5 Stelle a Palermo

2015

Nel 2005 nasce il primo Meetup palermitano, alla protesta contro i partiti unisce l’impegno ambientalista. Nel 2012 alle comunali la lista civica del Movimento 5 Stelle non raggiunge il 5%, ma diventa primo partito alle regionali (14,9%). Gli attivisti intervistati raccontano le diverse fasi del movimento a Palermo, tra successi e periodi critici. In 2005 the first Meetup arose in Palermo in order to protest against political parties and to support environmental issues. In 2012 the municipal civic list 5 Star Movement did not reach 5%, but it became the first party at the regional elections (14.9%). The interviewed activists illustrate the different stages of the movement in Palermo, descri…

Movimento 5 Stelle M5S movimenti sociali Palermo attivisti partecipazione politica comunicazione politica nuove tecnologie e politicaSettore SPS/11 - Sociologia Dei Fenomeni Politici5 Star Movement social movement Palermo activists political participation political communication new media and politics
researchProduct

The long-term consequences of the global 1918 influenza pandemic: A systematic analysis of 117 IPUMS international census data sets

2017

Several country-level studies, including a prominent one for the United States, have identified long-term effects of in-utero exposure to the 1918 influenza pandemic (also known as the Spanish Flu) on economic outcomes in adulthood. In-utero conditions are theoretically linked to adult health and socioeconomic status through the fetal origins or Barker hypothesis. Historical exposure to the Spanish Flu provides a natural experiment to test this hypothesis. Although the Spanish Flu was a global phenomenon, with around 500 million people infected worldwide, there exists no comprehensive global study on its long-term economic effects. We attempt to close this gap by systematically analyzing 11…

Natural experiment33061003 medical and health sciences0302 clinical medicine0502 economics and businessddc:330030212 general & internal medicineddc:610Fakultät für Wirtschaftswissenschaften050207 economicsFetal Origins HypothesisRobustness (economics)Socioeconomic statusAdult healthI1505 social sciencesN30Publication biasInfluenza pandemicCensusO57Term (time)3. Good healthGeographyDemographic economics1918 Influenza PandemicSpanish FluSpanish Flu -- 1918 Influenza Pandemic -- Fetal Origins Hypothesis
researchProduct

Formation of fumonisin B(1)-glucose reaction product, in vitro cytotoxicity, and lipid peroxidation on kidney cells.

2010

Fumonisin B(1) (FB(1)) content in corn products decreases during the heating process in foods containing reducing sugars, mainly because of the formation of N-(carboxymethyl)fumonisin B(1). In this study, a rapid method has been developed for the determination of both compounds in corn products using a high-speed blender, Ultra-Turrax, for solvent extraction and liquid chromatography-tandem mass spectrometry. The kinetics of FB(1) degradation and the formation of the Maillard adduct were studied in a model system constituted by corn bread spiked with FB(1) and heated at 160, 180, and 200 degrees C for 3, 6, 10, 15, and 20 min. FB(1) decreased from 0.96 to 0.3 mg/kg and N-(carboxymethyl)fumo…

Neutral redFood HandlingKidneyFumonisinsZea maysLipid peroxidationsymbols.namesakechemistry.chemical_compoundfumonisinFumonisinChlorocebus aethiopskidney cellAnimalsIC50Vero CellsFumonisin B1ChromatographyChemistryfood and beveragesGeneral ChemistryCarbohydrateMalondialdehydeMaillard reactionKineticsGlucosesymbolsLipid PeroxidationGeneral Agricultural and Biological SciencesJournal of agricultural and food chemistry
researchProduct