Search results for "relation"

showing 10 items of 10542 documents

QSAR Modeling ANTI-HIV-1 Activities by Optimization of Correlation Weights of Local Graph Invariants

2004

Results of using descriptors calculated with the correlation weights (CWs) of local graph invariants for modeling of anti-HIV-1 potencies of two groups of reverse transcriptase (RT) inhibitors are reported. Presence of different chemical elements in molecular structure of the inhibitors and the presence of Morgan extended connectivity values of zeroth-, first- and second order have been examined as local graph invariants in the labeled hydrogen-filled graphs. By Monte Carlo method optimization procedure, values of the CWs which produce as large values as possible of correlation coefficient between the numerical data on the anti-HIV-1 potencies and values of the descriptors on the training s…

Anti hiv 1Quantitative structure–activity relationshipCorrelation coefficientGeneral Chemical EngineeringMonte Carlo methodGeneral ChemistryCondensed Matter PhysicsGraphCombinatoricsCorrelationZeroth law of thermodynamicsModeling and SimulationOrder (group theory)General Materials ScienceInformation SystemsMathematicsMolecular Simulation
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Synthesis of new 2,3-diaryl-1,3-thiazolidin-4-ones as anti-HIV agents

2004

Several 2,3-diaryl-1,3-thiazolidin-4-ones were synthesized and evaluated as anti-HIV agents. The results of the in vitro tests showed that some of them were highly effective inhibitors of HIV-1 replication at 30-50 nM concentrations with minimal cytotoxicity, thereby acting as non-nucleoside HIV-1 reverse transcriptase inhibitors (NNRTIs).

Anti-HIV activity23-diaryl-13-thiazolidin-4-oneAnti-HIV AgentsCell SurvivalT-LymphocytesDrug Evaluation PreclinicalPharmaceutical SciencePharmacologyVirus ReplicationStructure-Activity RelationshipDrug DiscoveryStructure–activity relationshipHumansCytotoxicityCell survivalAnti hiv activityMolecular StructureAnti hivChemistryvirus diseasesSettore CHIM/08 - Chimica FarmaceuticaReverse transcriptaseIn vitroThiazolesViral replicationHIV-2HIV-1NNRTIsReverse Transcriptase Inhibitors
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Anti-arthritic activity of a lipophilic woad (Isatis tinctoria) extract

2006

A dichloromethane extract of Isatis tinctoria was tested in the adjuvant-induced arthritis model in rats. The extract (150 mg/kg p. o.) leads to a significant reduction of paw oedema. Radiographic, histological and clinical assessment confirmed reduced damage of cartilage and signs of inflammatory response in comparison to untreated control. No significant differences were observed in the tissular levels of cyclooxygenases 1 and -2, and of inducible nitric oxide synthase in Isatis treated and untreated animals. High dose treatment with Isatis extract for two weeks did not result in macroscopic lesions of the gastric mucosa.

Anti-Inflammatory AgentsAdministration OralPharmaceutical ScienceArthritisPharmacognosyAnalytical Chemistrylaw.inventionArthritis RheumatoidMicelawDrug DiscoveryGastric mucosamedicineAnimalsEdemaIsatisPharmacologyDose-Response Relationship DrugbiologyTraditional medicinePlant Extractsbusiness.industryMacrophagesOrganic ChemistryIsatisbiology.organism_classificationmedicine.diseaseRatsIsatis tinctoriaRadiographyNitric oxide synthaseDose–response relationshipmedicine.anatomical_structureComplementary and alternative medicineRats Inbred Lewbiology.proteinMolecular MedicineFemalePhytotherapybusinessPhytotherapyPlanta Medica
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Modulation of COX, LOX and NFκB activities by Xanthium spinosum L. root extract and ziniolide.

2012

Xanthium spinosum L. (Asteraceae) is a medicinal weed distributed worldwide. Many of its diverse ethnopharmacological uses - namely diarrhoea, inflammation, liver disorders, snake bite and fever - are linked - at least in part - to an uncontrolled release of arachidonic acid metabolites. The crude extract of X. spinosum roots from Jordanian origin dose-dependently inhibited the 5-LOX (IC50 is approximately equal to 10 μg/mL), COX-1(IC50 is approximately equal to 50 μg/mL), and 12-LOX (IC50 is approximately equal to 170 μg/mL) enzymatic pathways in intact pro-inflammatory cells. A direct activity at the level of PLA2 is not probable, but the extract induced the synthesis of the anti-inflamma…

Anti-Inflammatory AgentsPharmacologySesquiterpene lactoneXanthiumPlant Rootslaw.inventionchemistry.chemical_compoundInhibitory Concentration 50Sesquiterpenes GuaianelawDrug DiscoveryHydroxyeicosatetraenoic AcidsHumansCyclooxygenase InhibitorsLipoxygenase InhibitorsPharmacologychemistry.chemical_classificationInflammationbiologyDose-Response Relationship DrugPlant ExtractsNF-kappa BGeneral MedicineLipoxygenasesbiology.organism_classificationXanthiumPhorbolsEnzymeEicosanoidchemistryBiochemistryXanthium spinosumArachidonate 5-lipoxygenasebiology.proteinCyclooxygenase 1Arachidonic acidPhytotherapyHeLa CellsPhytotherapyFitoterapia
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Polycerasoidol, a Natural Prenylated Benzopyran with a Dual PPARα/PPARγ Agonist Activity and Anti-inflammatory Effect

2019

Dual peroxisome proliferator-activated receptor-α/γ (PPARα/γ) agonists regulate both lipid and glucose homeostasis under different metabolic conditions and can exert anti-inflammatory activity. We investigated the potential dual PPARα/γ agonism of prenylated benzopyrans polycerasoidol (1) and polycerasoidin (2) and their derivatives for novel drug development. Nine semisynthetic derivatives were prepared from the natural polycerasoidol (1) and polycerasoidin (2), which were evaluated for PPARα, -γ, -δ and retinoid X receptor-α activity in transactivation assays. Polycerasoidol (1) exhibited potent dual PPARα/γ agonism and low cytotoxicity. Structure–activity relationship studies revealed th…

Anti-Inflammatory AgentsRXRα/PPARγPharmaceutical ScienceRetinoid X receptorPharmacology01 natural sciencesAnalytical ChemistryStructure-Activity Relationshipchemistry.chemical_compoundTransactivationPrenylationPOLYCERASOIDOLDrug DiscoveryHumansStructure–activity relationshipGlucose homeostasisBenzopyransPPAR alphaMOLECULAR MODELINGCytotoxicityPrenylationPharmacologyMolecular Structure010405 organic chemistryChemistry[CHIM.ORGA]Chemical Sciences/Organic chemistryOrganic ChemistryCiencias QuímicasNATARUL PRODUCTSPeroxisome0104 chemical sciencesBenzopyranPPAR gamma010404 medicinal & biomolecular chemistryQuímica OrgánicaComplementary and alternative medicineMolecular MedicineCIENCIAS NATURALES Y EXACTAS
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Selling a vote

2005

Abstract A voting function is a rule that determines the outcome of an election: taking the voters' votes as input, a voting function selects the winning candidate from the set of candidates receiving some vote. A voting function is immune to vote selling when, given that neither voter i nor voter j votes for the winning candidate, a change ceteris paribus in i's vote cannot make the candidate for which j votes the winner. It is shown that voting functions immune to vote selling have either a dictator (a voter who always determines the winning candidate) or a dictated candidate (a candidate who becomes the winner by just receiving some vote).

Anti-plurality votingEconomics and EconometricsPublic economicsSpoilt voteCounting single transferable votesComputingMilieux_LEGALASPECTSOFCOMPUTINGCondorcet methodCardinal voting systemsMicroeconomicsContingent votePolitical Science and International RelationsBullet votingEconomicsExhaustive ballotEuropean Journal of Political Economy
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Synthetic small molecules as anti-biofilm agents in the struggle against antibiotic resistance

2018

Abstract Biofilm formation significantly contributes to microbial survival in hostile environments and it is currently considered a key virulence factor for pathogens responsible for serious chronic infections. In the last decade many efforts have been made to identify new agents able to modulate bacterial biofilm life cycle, and many compounds have shown interesting activities in inhibiting biofilm formation or in dispersing pre-formed biofilms. However, only a few of these compounds were tested using in vivo models for their clinical significance. Contrary to conventional antibiotics, most of the anti-biofilm compounds act as anti-virulence agents as they do not affect bacterial growth. I…

Antibiotic resistancemedicine.drug_classAntibioticsMicrobial Sensitivity TestsBacterial growthDispersal agent01 natural sciencesVirulence factorMicrobiologySmall Molecule LibrariesStructure-Activity Relationship03 medical and health sciencesAntibiotic resistanceSmall Molecule LibrarieAnti-Bacterial AgentDrug Discoverymedicine030304 developmental biologyPharmacology0303 health sciencesBacteriaDose-Response Relationship DrugMolecular StructureMicrobial Sensitivity Test010405 organic chemistryChemistryBiofilmOrganic ChemistryBiofilmDrug Resistance MicrobialGeneral Medicinebiochemical phenomena metabolism and nutritionAnti-biofilm agentSettore CHIM/08 - Chimica FarmaceuticaSmall moleculeAnti-Bacterial Agents0104 chemical sciencesAnti-adhesion agentBiofilmsAnti-virulence compoundAnti biofilmEuropean Journal of Medicinal Chemistry
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Synthesis and biological evaluation of abietic acid derivatives

2009

A series of C18-oxygenated derivatives of abietic acid were synthesized and evaluated for their cytotoxic, antimycotic, and antiviral activities. In general, the introduction of an aldehyde group at C18 did improve the resultant bioactivity, while the presence of an acid or alcohol led to less active compounds.

Antifungal AgentsCarboxylic acidMolecular ConformationAntineoplastic AgentsAlcoholHerpesvirus 1 HumanMicrobial Sensitivity TestsPrimary alcoholAntiviral AgentsChemical synthesisAldehydeStructure-Activity Relationshipchemistry.chemical_compoundChlorocebus aethiopsDrug DiscoveryAnimalsHumansStructure–activity relationshipOrganic chemistryAbietic acidVero CellsCandidaCell ProliferationPharmacologychemistry.chemical_classificationDose-Response Relationship DrugAspergillus fumigatusOrganic Chemistryfood and beveragesStereoisomerismGeneral Medicineequipment and suppliesAspergilluschemistryDrug DesignAbietaneslipids (amino acids peptides and proteins)DiterpeneHeLa CellsEuropean Journal of Medicinal Chemistry
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Artemisia herba-alba essential oil from Buseirah (South Jordan): Chemical characterization and assessment of safe antifungal and anti-inflammatory do…

2015

Abstract Ethnopharmacologic relevance Artemisia herba-alba Asso (“desert wormwood” in English; “armoise blanche” in French; “shaih” in Arabic), is a medicinal and strongly aromatic plant widely used in traditional medicine by many cultures since ancient times. It is used to treat inflammatory disorders (colds, coughing, bronchitis, diarrhea), infectious diseases (skin diseases, scabies, syphilis) and others (diabetes, neuralgias). In Jordanian traditional medicine, this plant is used as antiseptic and against skin diseases, scabies, syphilis, fever as well as menstrual and nervous disorders. Aim of the study Considering the traditional medicinal uses and the lack of scientific studies addre…

Antifungal AgentsCell Survivalmedicine.drug_classAnti-Inflammatory AgentsBiologyPharmacologyAnti-inflammatorylaw.inventionMiceMinimum inhibitory concentrationCamphorchemistry.chemical_compoundlawDrug DiscoveryOils VolatilemedicineAnimalsPlant OilsViability assayCandida albicansEssential oilPharmacologyJordanDose-Response Relationship DrugTraditional medicineArtemisia herba-albaPlant Components Aerialbiology.organism_classificationArtemisiachemistryArtemisiaJournal of Ethnopharmacology
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A Novel Series of Acylhydrazones as Potential Anti-Candida Agents: Design, Synthesis, Biological Evaluation and In Silico Studies

2019

In the context of an increased incidence of invasive fungal diseases, there is an imperative need of new antifungal drugs with improved activity and safety profiles. A novel series of acylhydrazones bearing a 1,4-phenylene-bisthiazole scaffold was designed based on an analysis of structures known to possess anti-Candida activity obtained from a literature review. Nine final compounds were synthesized and evaluated in vitro for their inhibitory activity against various strains of Candida spp. The anti-Candida activity assay revealed that some of the new compounds are as active as fluconazole against most of the tested strains. A molecular docking study was conducted in order to evaluate the …

Antifungal AgentsMolecular modelIn silicoPharmaceutical ScienceContext (language use)anti-CandidaMicrobial Sensitivity Tests01 natural sciencesArticleAnalytical Chemistrylcsh:QD241-44103 medical and health scienceschemistry.chemical_compoundStructure-Activity Relationshiplcsh:Organic chemistryDrug DiscoverymedicinePhysical and Theoretical ChemistryFluconazole030304 developmental biologyCandida0303 health sciencesMolecular Structure010405 organic chemistrymolecular modelingLanosterolOrganic Chemistryanti-<i>Candida</i>HydrazonesBiological activityIn vitro0104 chemical sciencesMolecular Docking Simulationlanosterol 14α-demethylaseADMETchemistryBiochemistryDesign synthesisChemistry (miscellaneous)Drug DesignMolecular MedicinethiazoleFluconazoleacylhydrazonemedicine.drugProtein BindingMolecules
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