Search results for "Molecular Structure"

showing 10 items of 1246 documents

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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p Natural polyphenols as anti-inflammatory agents p

2009

Celiac Disease is a worldwide spread condition affecting 1:100-1:200 individuals. It is a permanent food intolerance to ingested gluten in genetically predisposed subjects. In this review we analyze the biochemical markers of the disease going from laboratory findings to histology passing through genetics. Gluten intolerance is a unique model of autoimmune disease in which we can recognize the main environmental factor (gluten) and the more complex genetic background. In additional way, serological markers for monitoring the disease and a safe and effective therapy (gluten free diet) are also available. In deed the environmental factor such as gluten intake is necessary to trigger the disea…

Anti-Inflammatory AgentsDiseaseHuman leukocyte antigenProtein Serine-Threonine KinasesModels BiologicalAntioxidantsGeneral Biochemistry Genetics and Molecular BiologyPathogenesisPhenolsmedicineHumansFlavonoidsInflammationchemistry.chemical_classificationAutoimmune diseaseMolecular StructureGeneral Immunology and Microbiologybusiness.industryPolyphenolsnutritional and metabolic diseasesGluten intolerancemedicine.diseaseGlutendigestive system diseasesFood intolerancechemistryCyclooxygenase 2ImmunologyCyclooxygenase 1Gluten freebusinessFrontiers in Bioscience
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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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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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Bioactive aristolactams from Piper umbellatum.

2007

Four alkaloids named piperumbellactams A-D (1-4) were isolated from branches of Piper umbellatum together with known N-hydroxyaristolam II (5), N-p-coumaroyl tyramine (6), 4-nerolidylcatechol (7), N-trans-feruloyltyramine, E-3-(3,4-dihydroxyphenyl)-N-2-[4-hydroxyphenylethyl]-2-propenamide, beta-amyrin, friedelin, apigenin 8-C-neohesperidoside, acacetin 6-C-beta-d-glucopyranoside, beta-sitosterol, its 3-O-beta-d-glucopyranoside and its 3-O-beta-d-[6'-dodecanoyl]-glucopyranoside. Glycosidase inhibition, antioxidant and antifungal activities of these compounds were evaluated. Compounds 1-3 showed moderate alpha-glucosidase enzyme inhibition with IC50 values 98.07+/-0.44, 43.80+/-0.56 and 29.64…

Antifungal AgentsLactamsStereochemistryDPPHFriedelinPlant ScienceHorticultureBiochemistryHeterocyclic Compounds 4 or More Ringschemistry.chemical_compoundAlkaloidsMolecular BiologyPiperAcacetinbiologyMolecular StructurePlant ExtractsAlkaloidGeneral MedicineFree Radical ScavengersTyraminePiperaceaePlant Components Aerialbiology.organism_classificationchemistryApigeninPiperPhytochemistry
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A New Phenanthrene Glycoside and Other Constituents from Dioscorea opposita

2005

Phytochemical investigation of the rhizome of Dioscorea opposita has led to the isolation of a new phenanthrene glycoside, 3,4,6-trihydroxyphenanthrene-3-O-beta-D-glucopyranoside (1), and five known compounds, soyacerebroside I (2), adenosine (3), beta-sitosterol (4), palmitic acid (5) and palmitoyloleoylphosphatidylcholine (6). Their structures were determined by spectroscopic methods, including 1D- and 2D-NMR. Compounds 1-6 exhibited no antifungal activity against the human pathogenic yeasts Candida albicans, C. glabrata and C. tropicalis.

Antifungal AgentsMagnetic Resonance SpectroscopyDioscoreaceaeMicrobial Sensitivity TestsPalmitic acidchemistry.chemical_compoundDrug DiscoverymedicineGlycosidesCandida albicansCandidachemistry.chemical_classificationMolecular StructureTraditional medicinebiologyDioscoreaPlant ExtractsGlycosideGeneral ChemistryGeneral MedicinePhenanthrenesPhenanthrenebiology.organism_classificationAdenosineRhizomechemistryBiochemistryPhytochemicalDioscoreaRhizomemedicine.drugChemical and Pharmaceutical Bulletin
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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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Steroidal saponins from Asparagus acutifolius.

2007

Abstract Six new steroidal saponins ( 1 – 6 ) were isolated from the roots of A. acutifolius L., together with a known spirostanol glycoside ( 7 ). Their structures were elucidated mainly by extensive spectroscopic analysis (1D and 2D NMR, FABMS and HRESIMS). Compounds 4 – 7 demonstrated antifungal activity against the human pathogenic yeasts C. albicans , C. glabrata and C. tropicalis with MICs values between 12.5 and 100 μg/ml.

Antifungal AgentsStereochemistryAsparagus acutifoliusSaponinPlant ScienceHorticulturePharmacognosyBiochemistryPlant RootsSteroids HeterocyclicMolecular BiologyCandidachemistry.chemical_classificationbiologyMolecular StructureLiliaceaeHydrolysisGlycosideBiological activityGeneral MedicineSaponinsAntimicrobialbiology.organism_classificationCorpus albicanschemistryAsparagus PlantPhytochemistry
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Steroidal saponins from Smilax medica and their antifungal activity.

2005

Three new steroidal saponins (1-3) were isolated from the roots of Smilax medica, together with the known disporoside A (4). The structures of the new compounds were elucidated mainly by extensive spectroscopic analysis (1D and 2D NMR, FABMS, and HRESIMS). Compounds 1, 2, and 4 demonstrated weak antifungal activity against the human pathogenic yeasts Candida albicans, C. glabrata, and C.tropicalis, with MIC values between 12.5 and 50 microg/mL.

Antifungal AgentsStereochemistrySaponinPharmaceutical ScienceMicrobial Sensitivity TestsPharmacognosyAnalytical ChemistryDrug DiscoveryHumansCandida albicansMexicoNuclear Magnetic Resonance BiomolecularCandidaPharmacologychemistry.chemical_classificationPlants MedicinalbiologyTraditional medicineCandida glabrataMolecular StructureLiliaceaeOrganic ChemistrySmilaxGlycosideBiological activitySaponinsbiology.organism_classificationComplementary and alternative medicinechemistrySmilaxMolecular MedicineSteroidsJournal of natural products
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Synthesis and Influence of 3-Amino Benzoxaboroles Structure on Their Activity against Candida albicans

2020

Benzoxaboroles emerged recently as molecules of high medicinal potential with Kerydin&reg

Antifungal AgentsStereochemistrySubstituentPharmaceutical Sciencechemistry.chemical_elementMicrobial Sensitivity Tests01 natural sciencesArticleAnalytical Chemistrylcsh:QD241-441030207 dermatology & venereal diseases03 medical and health sciencesMinimum inhibitory concentrationchemistry.chemical_compound0302 clinical medicinebenzoxaboroleslcsh:Organic chemistryDrug DiscoveryCandida albicansformylPhysical and Theoretical ChemistryCandida albicanschemistry.chemical_classificationTavaboroleKerydinMolecular Structurebiology010405 organic chemistryChemistryOrganic Chemistrybiology.organism_classificationpiperazine0104 chemical sciences<i>Candida albicans</i>PiperazineChemistry (miscellaneous)Heterocyclic amineFluorineMolecular MedicineAmine gas treatingantifungalMolecules
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