Search results for " Drug"

showing 10 items of 3138 documents

Design, synthesis and structure-activity relationship of 2-(3',4',5'-trimethoxybenzoyl)-benzo[b]furan derivatives as a novel class of inhibitors of t…

2009

The biological importance of microtubules in mitosis and cell division makes them an interesting target for the development of anticancer agents. Small molecules such as benzo[b]furans are attractive as inhibitors of tubulin polymerization. Thus, a new class of inhibitors of tubulin polymerization based on the 2-(3′,4′,5′-trimethoxybenzoyl)-benzo[b]furan molecular skeleton, with electron-donating (Me, OMe or OH) or electron-withdrawing (F, Cl and Br) substituents on the benzene ring, was synthesized and evaluated for antiproliferative activity, inhibition of tubulin polymerization and cell cycle effects. Adding a methyl group at the C-3 position resulted in increased activity. The most prom…

structure-activityStereochemistryClinical BiochemistryPharmaceutical ScienceAntineoplastic Agentsmacromolecular substancesBiochemistryChemical synthesisArticleStructure-Activity Relationshipchemistry.chemical_compoundbenzo[b]furansMicrotubuleCell Line TumorFuranDrug DiscoveryHumansStructure–activity relationshipMolecular BiologyBenzofuransCell ProliferationBinding SitesDose-Response Relationship DrugbiologyChemistryTubulin ModulatorsCell growthCell CycleOrganic ChemistrySmall moleculeTubulin Modulatorstubulin polymerizationTubulinDrug Designbiology.proteinMolecular MedicineProtein MultimerizationColchicine
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Sulfonamide moiety as "molecular chimera" in the design of new drugs.

2021

Background: The -SO2NH- group is of great significance in modern pharmaceutical use since, in sulfa-drugs, it is possible to introduce easily chemical modifications, and even small changes may lead to an improved version of an already existing drug. Objective: This paper aims to describe updated information in the sulfonamide field with a particular focus on new mechanisms of action, especially if discovered by employing computational approaches. Methods: Research articles that focused on the use of the sulfonamide moiety for the design, synthesis, and in vitro/in vivo tests of various diseases were collected from various search engines like PubMed, Science Direct, Google Scholar, and Scop…

sulfonamide moietyPharmacologyOrganic Chemistrymolecular chimeraSettore CHIM/08 - Chimica FarmaceuticaBiochemistrymolecular dynamicsin silico drug designdockingDrug Discoverypharmacophore modelingMolecular Medicinealkylsulfonamidesaryl/heteroarylsulfonamidesCurrent medicinal chemistry
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A one-pot method to enhance dissolution rate of low solubility drug molecules using dispersion polymerization in supercritical carbon dioxide

2009

supercritical carbon dioxide dispersion polymerization drug deliverySettore ING-IND/27 - Chimica Industriale E Tecnologica
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Evidence of Weak Halogen Bonding: New Insights on Itraconazole and its Succinic Acid Cocrystal

2012

Exact knowledge of the crystal structure of drugs and lead compounds plays a significant role in the fields of crystal engineering, docking, computational modeling (drug–receptor interactions), and rational design of potent drugs in pharmaceutical chemistry. The succinic acid cocrystal of the systemic antifungal drug, itraconazole, reported by Remenar et al. (J. Am. Chem. Soc.2003, 125, 8456–8457) (CSD: IKEQEU), represents one of the classical examples displaying a molecular fitting mechanism in the solid state. In this work, we disclose the X-ray single-crystal structure of the cis-itraconazole–succinic acid (2:1) cocrystal and found that it differs slightly from the previously reported st…

ta214Halogen bondta114Stereochemistryta221Rational designAntifungal drugGeneral ChemistryCondensed Matter PhysicsCrystal engineeringCocrystalCocrystalchemistry.chemical_compoundsymbols.namesakechemistrySuccinic acidDocking (molecular)symbolsGeneral Materials ScienceHalogen bondingItraconazolevan der Waals forceta116ta218Crystal Growth & Design
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The role of circulating and exosomal miRNAs as biomarkers of drug-resistant epilepsy

Epilepsy is estimated to affect about 65 million individuals worldwide, with up to 30 percent of drug-resistant patients who do not have remission despite appropriate therapy with antiepileptic drugs (AEDs). Therefore, it is important to distinguish drug-resistant epilepsy early in the course of disease to start a specific therapeutical approach as soon as possible. Recently circulating miRNAs have been proposed as promising biomarkers for different neurodegenerative disorders, including epilepsy. MiRNAs are a class of small non-coding RNA that regulate gene expression at a post-transcriptional level. The regulatory mechanisms controlling translation of mRNA transcripts represents to date a…

temporal lobe epilepsy drug-resistance miRNAsSettore MED/26 - Neurologia
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Synthesis, antiproliferative activity, and in silico insights of new 3-benzoylamino-benzo[ b ]thiophene derivatives

2014

A new series of 3-benzoylamino-5-imidazol-5-yl-benzo[b]thiophenes and the parent amino derivatives were synthesized and screened as antitumor agents. All tested compounds showed concentration-dependent antiproliferative activity profile against HeLa cell line, exhibiting GI50 values in the low micromolar range. The most active compounds were tested in cell cycle perturbation experiments. A rapid accumulation of cells in the G2/M phase, with a concomitant reduction of cells in both the S and G0/G1 phases, was observed, suggesting that cell exposure to selected derivatives produces mitotic failure. To rationalize the biological results, the 3-benzoylamino-benzo[b]thiophenes were analyzed thro…

thiopheneVLAK protocolStereochemistryIn silicoCellAntineoplastic AgentsMechanism of actionHeLa CellHeLaAntineoplastic AgentStructure-Activity Relationship3-Benzoylamino-5-imidazol-4-yl-benzo[b]Settore BIO/10 - BiochimicaDrug DiscoverymedicineHumansMoietyComputer SimulationMitosisCell ProliferationPharmacologyAntitumor agentsbiologyDose-Response Relationship DrugMolecular StructureChemistryDrug Discovery3003 Pharmaceutical ScienceMedicine (all)Cell CycleOrganic ChemistryAntitumor agentG2/M phaseGeneral MedicineSettore CHIM/06 - Chimica OrganicaHeLa cell linebiology.organism_classificationSettore CHIM/08 - Chimica Farmaceuticamedicine.anatomical_structureCell cultureSettore CHIM/03 - Chimica Generale E InorganicathiophenesAntimitotic AgentTopoisomerase-II InhibitorDrug Screening Assays AntitumorHeLa CellsHuman
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Double copies of blaKPC-3::Tn4401a on an IncX3 plasmid in Klebsiella pneumoniae successful clone ST512 from Italy

2015

ABSTRACT A carbapenem-resistant sequence type 512 (ST512) Klebsiella pneumoniae carbapenemase 3 (KPC-3)-producing K. pneumoniae strain showing a novel variant plasmid content was isolated in Palermo, Italy, in 2014. ST512 is a worldwide successful clone associated with the spread of bla KPC genes located on the IncFIIk pKpQIL plasmid. In our ST512 strain, the bla KPC-3 gene was unusually located on an IncX3 plasmid, whose complete sequence was determined. Two copies of bla KPC-3 ::Tn 4401a caused by intramolecular transposition events were detected in the plasmid.

transposonsequence analysispolymerase chain reactionDrug ResistanceGene DosageSettore MED/42 - Igiene Generale E Applicatabacterial proteinbeta-Lactamaseopen reading framecarbapenemasePlasmidminocyclineplasmid DNAmeropenemPharmacology (medical)geneticscolistincefpodoximeceftazidime610 Medicine & healthCarbapenemBacterialpolymyxin Btimentingene expression regulationbacteriumKlebsiella pneumoniae carbapenemase 3 producing Klebsiella pneumoniae3. Good healthantiinfective agentmicrobial sensitivity testKlebsiella pneumoniaeItalypriority journaltigecyclineMultipleclone (Java method)cefotaxime030106 microbiologyKlebsiella pneumoniae carbapenemase 3tobramycinMicrobial Sensitivity Testsgentamicinpiperacillin plus tazobactamchemistryGene dosageArticleMicrobiology03 medical and health sciencesComplete sequenceClone CellOpen Reading FramesertapenemBacterial Proteinsmultidrug resistanceextensively drug resistant bacteriumAnti-Bacterial AgentcefepimePharmacologylevofloxacinmicrobiologycefoxitinbiochemical phenomena metabolism and nutritionbacterial infections and mycosesVirologyAnti-Bacterial Agents; Bacterial Proteins; Carbapenems; Clone Cells; Drug Resistance Multiple Bacterial; Gene Dosage; Italy; Klebsiella Infections; Klebsiella pneumoniae; Microbial Sensitivity Tests; Open Reading Frames; Plasmids; beta-Lactamases; DNA Transposable Elements; Gene Expression Regulation Bacterial; Pharmacology (medical); Pharmacology; Infectious Diseasesantibiotic sensitivityClone CellsKlebsiella InfectionsceftriaxoneCarbapenemsbacterial genetics0301 basic medicinemolecular cloningSettore MED/07 - Microbiologia E Microbiologia ClinicaKlebsiella pneumoniaeTransposition (music)Drug Resistance Multiple Bacterialpolycyclic compoundsgenetic screeningcell clonecarbapenem derivativeKlebsiella infectionunclassified drugAnti-Bacterial AgentsInfectious Diseasesbacterial genePlasmidsenzymologydoripenemBiologyminimum inhibitory concentrationbeta-Lactamasesbeta lactamaseMechanisms of ResistanceciprofloxacinAmikacin; aztreonam; carbapenemase; cefepime; cefotaxime; cefoxitin; cefpodoxime; ceftazidime; ceftriaxone; ciprofloxacin; colistin; cotrimoxazole; doripenem; doxycycline; ertapenem; gentamicin; imipenem; Klebsiella pneumoniae carbapenemase 3; levofloxacin; meropenem; minocycline; piperacillin plus tazobactam; plasmid DNA; polymyxin B; tigecycline; timentin; tobramycin; unclassified drug; antiinfective agent; bacterial protein; beta lactamase; carbapenem derivative; transposon antibiotic sensitivity; Article; bacterial gene; bacterial genetics; bacterial strain; bacterium; bacterium detection; bacterium isolation; Escherichia coli; extensively drug resistant bacterium; gene dosage; genetic screening; Italy; Klebsiella pneumoniae; Klebsiella pneumoniae carbapenemase 3 producing Klebsiella pneumoniae; minimum inhibitory concentration; molecular cloning; nonhuman; polymerase chain reaction; priority journal; sequence analysis; cell clone; chemistry; drug effects; enzymology; gene expression regulation; genetics; isolation and purification; Klebsiella infection; Klebsiella pneumoniae; metabolism; microbial sensitivity test; microbiology; multidrug resistance; open reading frame; plasmid; transposon Anti-Bacterial Agents; Bacterial Proteins; beta-Lactamases; Carbapenems; Clone Cells; DNA Transposable Elements; Drug Resistance Multiple Bacterial; Gene Dosage; Gene Expression Regulation Bacterial; Italy; Klebsiella Infections; Klebsiella pneumoniae; Microbial Sensitivity Tests; Open Reading Frames; Plasmidsplasmidbacterium isolationEscherichia coliGeneAmikacinbacterium detectionnonhumandoxycyclineisolation and purificationGene Expression Regulation Bacterialbiology.organism_classificationbacterial straincotrimoxazoleOpen reading frameDNA Transposable Elementdrug effectsDNA Transposable Elementsmetabolismaztreonamimipenem
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Extracellular Vesicles as Shuttles of Tumor Biomarkers and Anti-Tumor Drugs

2014

Extracellular vesicles (EV) include vesicles released by either normal or tumor cells. EV may exceed the nanometric scale (microvesicles), or to be within the nanoscale, also called exosomes. Thus, it appears that only exosomes and larger vesicles may have the size for potential applications in nanomedicine, in either disease diagnosis or therapy. This is of particular interest for research in cancer, also because the vast majority of existing data on EV are coming from pre-clinical and clinical oncology. We know that the microenvironmental features of cancer may favor cell-to-cell paracrine communication through EV, but EV have been purified, characterized, and quantified from plasma of tu…

tumorsCancer Researchbusiness.industryVesicleParacrine CommunicationbiomarkersCancerexosomeslcsh:Neoplasms. Tumors. Oncology. Including cancer and carcinogensBioinformaticsmedicine.diseaselcsh:RC254-282Extracellular vesiclesMicrovesiclesAnti-Tumor DrugsteranosticsTumor BiomarkersOncologyPerspective ArticleCancer researchmedicineNanomedicineextracellular vesiclesbusinessFrontiers in Oncology
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Modelling the effect of ethanol on growth rate of food spoilage moulds

2005

The effect of ethanol (E) on the radial growth rate (mu) of food spoilage moulds (Aspergillus candidus, Aspergillus flavus, Aspergillus niger, Cladosporium cladosporioides, Eurotium herbariorum, Mucor circinelloides, Mucor racemosus, Paecilomyces variotii, Penicillium chrysogenum, Penicillium digitatum, Rhizopus oryzae and Trichoderma harzianum) was assessed in Potato Dextrose Agar (PDA) medium at a(w) 0.99, 25 degrees C. In order to model this effect, the Monod type equation described previously by Houtsma et al. (Houtsma, P.C., Kusters, B.J.M., de Wit, J.C., Rombouts, F.M., Zwietering, M.H., 1994. Modelling growth rates of Listeria monocytogenes as a function of lactate concentration. Int…

vaporColony Count MicrobialRhizopus oryzaebreadshelf-life extensionModels BiologicalMicrobiologyLevensmiddelenmicrobiologieAspergillus candidusBotanywater activityFood scienceVLAGPenicillium digitatumbacterial-growthDose-Response Relationship DrugEthanolbiologyMucor racemosusAspergillus nigerFungiPenicilliumWaterTrichoderma harzianumtemperatureGeneral Medicinebiology.organism_classificationethylKineticsAspergillusMucor circinelloidesFood MicrobiologyPotato dextrose agarmodified atmosphereFood ScienceInternational Journal of Food Microbiology
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Rational drug discovery : structural studies of protein-ligand complexes

2011

vaskulaarinen adheesioproteiini 1rational drug discoveryrationaalinen lääkeainesuunnitteluVAP-1hydrazinefilamiinitfilaminvascular adhesion protein 1ligandinsitomistaskutmolecular dynamicsligand binding pocketshydratsiinimolekyylidynamiikkaTCPTPCFTR
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