Search results for "DISCOVERY"

showing 10 items of 4119 documents

Chemical and antifungal investigations of six Lippia species (Verbenaceae) from Brazil

2012

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AntifungalAntifungal AgentsIridoidStereochemistrymedicine.drug_classPharmaceutical ScienceMicrobial Sensitivity TestsCandida parapsilosisAntifungalAnalytical Chemistrychemistry.chemical_compoundVerbascosideCandida kruseiBotanyVerbenaceaeDrug DiscoverymedicineCandida albicansCandida spp.Cryptococcus neoformansPharmacologyLippiaTraditional medicinebiologyPlant ExtractsChemistryVerbenaceaeOrganic ChemistryFungiGeneral MedicineDereplicationbiology.organism_classificationComplementary and alternative medicineCryptococcus neoformansMolecular MedicineLippiaLippia sppBrazilFood SciencePlanta Medica
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Bioactive Steroidal Saponins from Smilax medica

2006

Two new spirostanol saponins ( 1 and 2) were isolated from the roots of Smilax medica, together with the known smilagenin 3-O-beta-D-glucopyranoside (3). Their structures were determined by spectroscopic methods including 1D- and 2D-NMR experiments. Compounds 1 and 2 exhibited antifungal activity against the human pathogenic yeasts Candida albicans, C. glabrata and C. tropicalis (MICs between 6.25 and 50 microg/mL) whereas 3 was inactive.

AntifungalAntifungal AgentsMagnetic Resonance Spectroscopymedicine.drug_classSmilageninSaponinPharmaceutical ScienceMicrobial Sensitivity TestsPharmacognosyAnalytical ChemistryDrug DiscoverymedicineCandida albicansCandidaPharmacologychemistry.chemical_classificationbiologyTraditional medicineLiliaceaeOrganic ChemistrySmilaxSaponinsbiology.organism_classificationComplementary and alternative medicinechemistrySmilaxMolecular MedicinePlanta Medica
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Recent Trends in the Pharmacological Activity of Isoprenyl Phenolics

2012

Abstract A number of prenylated phenols, mainly flavonoids, have been identified as active constituents of medicinal plants. Due to their beneficial effects on human health, this class of compounds has received a great deal of attention, not only from the pharmaceutical industry, but also from other areas of applied sciences, including the food, brewing, and cosmetics industries. The addition of prenyl residues through the activity of isoprenyltransferases, the key biosynthetic enzymes for these plant metabolites, endows flavonoids with a variety of biological activities, mostly due to improved interaction with membranes and proteins. The role of prenylated flavonoids in plants correlates w…

AntifungalAntioxidantmedicine.drug_classmedicine.medical_treatmentAnti-Inflammatory AgentsAntineoplastic AgentsPharmacologyBiochemistryAntioxidantschemistry.chemical_compoundPhenolsPrenylationDrug DiscoverymedicineHumansHypoglycemic AgentsTechnology PharmaceuticalPhenolsMedicinal plantsPrenylationPharmacologyTraditional medicineOrganic Chemistryfood and beveragesBiological activityBiosynthetic enzymechemistryAntiprotozoalMolecular MedicineCurrent Medicinal Chemistry
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DHFR Inhibitors: Reading the Past for Discovering Novel Anticancer Agents.

2019

Dihydrofolate reductase inhibitors are an important class of drugs, as evidenced by their use as antibacterial, antimalarial, antifungal, and anticancer agents. Progress in understanding the biochemical basis of mechanisms responsible for enzyme selectivity and antiproliferative effects has renewed the interest in antifolates for cancer chemotherapy and prompted the medicinal chemistry community to develop novel and selective human DHFR inhibitors, thus leading to a new generation of DHFR inhibitors. This work summarizes the mechanism of action, chemical, and anticancer profile of the DHFR inhibitors discovered in the last six years. New strategies in DHFR drug discovery are also provided, …

AntifungalCancer chemotherapymedicine.drug_classDrug Evaluation Preclinicaldihydrofolate reductase (DHFR) enzymePharmaceutical ScienceAntineoplastic AgentsComputational biologyReview01 natural scienceshybrid compoundsAnalytical Chemistrylcsh:QD241-44103 medical and health sciencesStructure-Activity RelationshipFolic Acidlcsh:Organic chemistryheterocyclic compoundsNeoplasmsDihydrofolate reductaseparasitic diseasesDrug DiscoverymedicineAnimalsHumansPhysical and Theoretical Chemistry030304 developmental biology0303 health sciencesHeterocyclic compoundbiology010405 organic chemistryDrug discoveryOrganic ChemistryDHFR inhibitors as anticancer agentSettore CHIM/08 - Chimica Farmaceutica0104 chemical sciencesDHFR drug discoveryTetrahydrofolate DehydrogenaseMechanism of actionChemistry (miscellaneous)Settore CHIM/03 - Chimica Generale E InorganicaDHFR inhibitors as anticancer agentsbiology.proteinMolecular MedicineFolic Acid Antagonistsmedicine.symptomMolecules (Basel, Switzerland)
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Novel isoquinoline derivatives as antimicrobial agents.

2013

The wide variety of potent biological activities of natural and synthetic isoquinoline alkaloids encouraged us to develop novel antimicrobial isoquinoline compounds. We synthesized a variety of differently functionalized 1-pentyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolines (THIQs), including dihydroisoquinolinium salts (2 and 5), methyl pentanoate-THIQ (6), 1-pentanol-THIQ (7), ester derivatives (8-15) and carbamate derivatives (16-23). We employed classic intramolecular Bischler-Napieralski cyclodehydration to generate the isoquinoline core. All the structures were characterized by nuclear magnetic resonance and mass spectrometry. The bactericide and fungicide activities were evaluated f…

AntifungalCarbamateAntifungal Agentsmedicine.drug_classmedicine.medical_treatmentClinical BiochemistryPharmaceutical ScienceMicrobial Sensitivity TestsGram-Positive BacteriaBiochemistrychemistry.chemical_compoundStructure-Activity RelationshipAnti-Infective AgentsDrug DiscoveryGram-Negative BacteriamedicineOrganic chemistryStructure–activity relationshipIsoquinolineMolecular BiologyEster derivativesChemistryOrganic ChemistryFungiAntimicrobialIsoquinolinesAnti-Bacterial AgentsIntramolecular forceMolecular MedicineBioorganicmedicinal chemistry
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Studies on puupehenone-metabolites of a Dysidea sp.: structure and biological activity

2007

[EN] Puupchenone (1) and a series of its congeners (2-6) have been isolated from a Dysidea sponge. The unprecedented 20-acetoxyhater-unnadienone (2) exhibiting a five-membered contracted ring, has been characterized. In addition, stereochemical assignment of two previously reported acetone adducts of puupehenone (5 and 6) has been made. Finally, the inhibition of mitochondrial respiratory chain as well as antibacterial and antifungal activities of all compounds has been evaluated. (c) 2006 Elsevier Ltd. All rights reserved.

AntifungalMitochondrial respiratory chainbiologyMarine metabolitesmedicine.drug_classStereochemistryChemistryPuupehenoneOrganic ChemistryBiological activitySponges; Marine metabolites; Sesquiterpene-quinones; Antifungal; Antibacterial; Mitochondrial respiratory chain.biology.organism_classificationAntifungalBiochemistryAdductAntibacterialSpongeMitochondrial respiratory chainSpongesDrug DiscoverymedicineSesquiterpene-quinonesBIOQUIMICA Y BIOLOGIA MOLECULARTetrahedron
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QuBiLs-MAS method in early drug discovery and rational drug identification of antifungal agents

2015

The QuBiLs-MAS approach is used for the in silico modelling of the antifungal activity of organic molecules. To this effect, non-stochastic (NS) and simple-stochastic (SS) atom-based quadratic indices are used to codify chemical information for a comprehensive dataset of 2478 compounds having a great structural variability, with 1087 of them being antifungal agents, covering the broadest antifungal mechanisms of action known so far. The NS and SS index-based antifungal activity classification models obtained using linear discriminant analysis (LDA) yield correct classification percentages of 90.73% and 92.47%, respectively, for the training set. Additionally, these models are able to correc…

AntifungalQuantitative structure–activity relationshipAntifungal AgentsLinear discriminant analysismedicine.drug_classIn silicoAtom-based quadratic indicesQSAR modelQuantitative Structure-Activity RelationshipBioengineeringDrug developmentComputational biologyQuantitative structure activity relationVrtual screening antifungal agentDrug DiscoverymedicineComputer SimulationDrug identificationChemistryDrug discoveryLinear modelDiscriminant AnalysisGeneral MedicineLinear discriminant analysisCombinatorial chemistryChemistryTest setLinear ModelsMolecular MedicineQuBiLs-MAS softwareStatistical modelAntifungal agent
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Steroidal saponins from the roots of Smilax aspera subsp. mauritanica

2008

Two new steroidal saponins (1, 2) were isolated from the roots of Smilax aspera subsp. mauritanica (POIR.) ARCANG. (Liliaceae), together with the known curillin G (3), asparagoside E (4), asparoside A (5), asparoside B (6) and the phenolic compound resveratrol (7). Their structures were established mainly on the basis of 600 MHz 2D-NMR spectral data. 3 exhibited antifungal activity against the human pathogenic yeasts Candida albicans, C. glabrata and C. tropicalis (minimum inhibitory concentrations of 25, 25 and 50 microg/ml, respectively) whereas the other compounds were inactive.

AntifungalSpectrometry Mass Electrospray IonizationAntifungal AgentsMagnetic Resonance SpectroscopySpectrophotometry Infraredmedicine.drug_classMolecular Sequence DataPharmaceutical ScienceMicrobial Sensitivity TestsSpectrometry Mass Fast Atom BombardmentResveratrolPlant RootsAnalytical Chemistrychemistry.chemical_compoundDrug DiscoveryBotanymedicineCandida albicansSpectral dataSmilax asperaCandidaPharmacologybiologyTraditional medicineLiliaceaeHydrolysisOrganic ChemistryFungiGeneral ChemistryGeneral MedicineSaponinsbiology.organism_classificationKetoconazoleCarbohydrate SequenceComplementary and alternative medicinechemistrySmilaxMolecular MedicineSteroidsPlanta Medica
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Ag+ Complexes as Potential Therapeutic Agents in Medicine and Pharmacy

2019

Silver is a non-essential element with promising antimicrobial and anticancer properties. This work is a detailed summary of the newest findings on the bioinorganic chemistry of silver, with a special focus on the applications of Ag+ complexes and nanoparticles. The coordination chemistry of silver is given a reasonable amount of attention, summarizing the most common silver binding sites and giving examples of such binding motifs in biologically important proteins. Possible applications of this metal and its complexes in medicine, particularly as antibacterial and antifungal agents and in cancer therapy, are discussed in detail. The most recent data on silver nanoparticles are also summari…

Antifungalsilver nanoparticlesSilvermedicine.drug_classCancer therapyMetal NanoparticlesNanoparticleAntineoplastic Agents02 engineering and technologyPharmacology010402 general chemistry01 natural sciencesBiochemistrySilver(I) complexesSilver nanoparticleCoordination complexStructure-Activity RelationshipAnti-Infective AgentsCoordination ComplexesDrug DiscoverymedicineHumansAmino Acid SequenceAmino AcidsIonsPharmacologychemistry.chemical_classificationMolecular StructureChemistryOrganic Chemistryantibacterial and anticancer activity of Ag+021001 nanoscience & nanotechnologyCombinatorial chemistry0104 chemical sciencescysteine and methionine motifsMolecular Medicine0210 nano-technologyProtein BindingCurrent Medicinal Chemistry
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Stilbene-based anticancer agents: Resveratrol analogues active toward HL60 leukemic cells wit a non-specific phase mechanism

2006

Several stilbenes, related to known resveratrol, have been synthesized and tested for their anticancer effect on HL60 leukemia cell line, taking particular care of the cell cycle analysis. The most potent compound was the known (Z)-3,4',5-trimethoxystilbene (6b) which was active as apoptotic agent at 0.24 microM. Differently from other stilbenes (including resveratrol) that induced a prevalent recruitment of cells in S phase of cell cycle, we found a peculiar behavior of 6b that caused a decrease of cells in all phases of cell cycle (G0-G1, S, and G2-M) and a proportional increase of apoptotic cells. The potent pro-apoptotic activity shown by compound 6b and its effects on cell cycle make t…

AntimonyHL60Clinical BiochemistryPharmaceutical ScienceAntineoplastic AgentsHL-60 CellsResveratrolBiochemistryStructure-Activity Relationshipchemistry.chemical_compoundStilbenesDrug DiscoverymedicineHumansStructure–activity relationshipMolecular BiologyS phaseCell ProliferationMolecular StructureOrganic ChemistryCell cycleMechanism of actionchemistryBiochemistryAnticancer agentResveratrolCell cultureApoptosisResveratrol analogueCell cycle analysisMolecular Medicinemedicine.symptom
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