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showing 10 items of 6927 documents

Molecular docking-based virtual drug screening revealing an oxofluorenyl benzamide and a bromonaphthalene sulfonamido hydroxybenzoic acid as HDAC6 in…

2020

HDAC6 is a crucial epigenetic modifier that plays a vital role in tumor progression and carcinogenesis due to its multiple biological functions. It is a unique member of class-II HDAC enzymes. It possesses two catalytic domains, which function independently of the overall enzyme activity. Up to date, there are only a few selective HDAC6 inhibitors with anti-cancer activity. In this study, 175,204 ligands obtained from the ZINC15 and OTAVAchemical databases were used for virtual drug screening against HDAC6. Molecular docking studies were performed for 100 selected compounds. Furthermore, the top 10 compounds obtained from docking were tested for their efficacy to inhibit the function of HDA…

0301 basic medicineHydroxybenzoic acidMicroscale thermophoresisDrug developmentApoptosisRM1-950NaphthalenesVirtual drug screeningHistone Deacetylase 6Flow cytometry03 medical and health scienceschemistry.chemical_compoundStructure-Activity Relationship0302 clinical medicineCell Line TumorDrug DiscoverymedicineHydroxybenzoatesHumansBenzamideCytotoxicityBenzoic acidCancerPharmacologychemistry.chemical_classificationLeukemiamedicine.diagnostic_testDose-Response Relationship DrugMolecular StructureChemistryMicroscale thermophoresisGeneral MedicineHDAC6Drug Resistance MultipleHistone Deacetylase InhibitorsMolecular Docking Simulation030104 developmental biologyEnzymeBiochemistryDocking (molecular)Drug Resistance Neoplasm030220 oncology & carcinogenesisBenzamidesEpigeneticsTherapeutics. PharmacologyDatabases ChemicalBiomedicinepharmacotherapy = Biomedecinepharmacotherapie
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Magnetic Nanoparticle-Based Hyperthermia Mediates Drug Delivery and Impairs the Tumorigenic Capacity of Quiescent Colorectal Cancer Stem Cells

2021

Cancer stem cells (CSCs) are the tumor cell subpopulation responsible for resistance to chemotherapy, tumor recurrence, and metastasis. An efficient therapy must act on low proliferating quiescent-CSCs (q-CSCs). We here investigate the effect of magnetic hyperthermia (MHT) in combination with local chemotherapy as a dual therapy to inhibit patient-derived colorectal qCR-CSCs. We apply iron oxide nanocubes as MHT heat mediators, coated with a thermoresponsive polymer (TR-Cubes) and loaded with DOXO (TR-DOXO) as a chemotherapeutic agent. The thermoresponsive polymer releases DOXO only at a temperature above 44 °C. In colony-forming assays, the cells exposed to TR-Cubes with MHT reveal that qC…

0301 basic medicineHyperthermiacancer stem cellsmagnetic nanoparticlesMaterials scienceSettore MED/50 - Scienze Tecniche Mediche Applicatecolorectal cancerdoxorubicinMetastasis03 medical and health sciences0302 clinical medicineDrug Delivery SystemsIn vivoCancer stem cellmedicineHumansGeneral Materials ScienceDoxorubicinmagnetic hyperthermiaMagnetite NanoparticlesAntibiotics AntineoplasticHyperthermia Inducedmedicine.diseaseCombined Modality Therapy3. Good healthOxaliplatin030104 developmental biology030220 oncology & carcinogenesisDrug deliveryCancer researchNeoplastic Stem CellsStem cellSettore MED/46 - Scienze Tecniche Di Medicina Di LaboratorioColorectal Neoplasmsmedicine.drugResearch Article
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Pharmaceutical Approaches to Target Antibiotic Resistance Mechanisms

2017

There is urgent need for new therapeutic strategies to fight the global threat of antibiotic resistance. The focus of this Perspective is on chemical agents that target the most common mechanisms of antibiotic resistance such as enzymatic inactivation of antibiotics, changes in cell permeability, and induction/activation of efflux pumps. Here we assess the current landscape and challenges in the treatment of antibiotic resistance mechanisms at both bacterial cell and community levels. We also discuss the potential clinical application of chemical inhibitors of antibiotic resistance mechanisms as add-on treatments for serious drug-resistant infections. Enzymatic inhibitors, such as the deriv…

0301 basic medicineImipenemmedicine.drug_classAvibactam030106 microbiologyAntibioticsDrug resistancePharmacologyBiologySettore BIO/19 - Microbiologia Generalemedicine.disease_causeMicrobiology03 medical and health scienceschemistry.chemical_compoundAntibiotic resistanceDrug DiscoverymedicineHumansPseudomonas InfectionsBeta-Lactamase InhibitorsPseudomonas aeruginosaDrug Discovery3003 Pharmaceutical ScienceEnterobacteriaceae InfectionsDrug Resistance MicrobialSettore CHIM/08 - Chimica FarmaceuticaImipenemchemistryMolecular Medicine; Drug Discovery3003 Pharmaceutical ScienceMolecular MedicineEffluxbeta-Lactamase InhibitorsAzabicyclo Compoundsmedicine.drugJournal of Medicinal Chemistry
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Lymphopenia in COVID-19: γδ T Cells-Based Therapeutic Opportunities

2021

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection dysregulates the immune system by lymphopenia of B cells, monocytes, eosinophils, basophils, and cytotoxic cells such as CD8, γδ T cells, and natural killer (NK) cells. Despite many studies being conducted to better understand the effects of SARS-CoV-2 on the immune system, many mechanisms still remain unclear, hindering the development of novel therapeutic approaches and strategies to improve the host’s immune defense. This mini-review summarizes the findings on the role of γδ T cells in coronavirus disease 2019 (COVID-19), providing an overview of the excellent anti-viral therapeutic potential of γδ T cells, that had n…

0301 basic medicineImmune defense2019-20 coronavirus outbreakCoronavirus disease 2019 (COVID-19)virusesSevere acute respiratory syndrome coronavirus 2 (SARS-CoV-2)ImmunologyGamma delta T cells03 medical and health sciences0302 clinical medicineImmune systemDrug DiscoveryMedicineCytotoxic T cellPharmacology (medical)PharmacologySARS-CoV-2business.industryRCOVID-19030104 developmental biologyInfectious Diseases030220 oncology & carcinogenesisPerspectiveImmunologyMedicinebusinessCD8Vaccines
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Engineered exosomes: A new promise for the management of musculoskeletal diseases.

2018

Abstract Background Exosomes are nanovesicles actively secreted by potentially all cell types, including tumour cells, with the primary role of extracellular systemic communication mediators, both at autocrine and paracrine levels, at short and long distances. Recently, different studies have used exosomes as a delivery system for a plethora of different molecules, such as drugs, microRNAs and proteins. This has been made possible thanks to the simplicity in exosomes engineering, their great stability and versatility for applications in oncology as well as in regenerative medicine. Scope of review The aim of this review is to provide information on the state-of-the-art and possible applicat…

0301 basic medicineImmune system regulationDrug delivery; Engineered exosomes; Immune system regulation; Musculoskeletal diseases; Oncology; Regenerative medicine; Biophysics; Biochemistry; Molecular BiologyBiophysicsComputational biologyEngineered exosomeExosomesRegenerative MedicineBiochemistryRegenerative medicine03 medical and health sciencesDrug Delivery SystemsMusculoskeletal diseaseMedicineAnimalsHumansMusculoskeletal DiseasesMolecular Biologybusiness.industryMicrovesicles030104 developmental biologyOncologyBiophysicDrug deliveryDrug deliveryDelivery systembusinessBiochimica et biophysica acta. General subjects
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Primary sjogren syndrome: Focus on innate immune cells and inflammation

2020

Primary Sjogren Syndrome (pSS) is a complex, multifactorial rheumatic disease that mainly targets salivary and lacrimal glands, inducing epithelitis. The cause behind the autoimmunity outbreak in pSS is still elusive; however, it seems related to an aberrant reaction to exogenous triggers such as viruses, combined with individual genetic pre-disposition. For a long time, autoantibodies were considered as the hallmarks of this disease; however, more recently the complex interplay between innate and adaptive immunity as well as the consequent inflammatory process have emerged as the main mechanisms of pSS pathogenesis. The present review will focus on innate cells and on the principal mechani…

0301 basic medicineImmunologyinnate lymphoid cellslcsh:MedicineIFN signatureInflammationDiseaseReviewmedicine.disease_causeAutoimmunityPathogenesis03 medical and health sciences0302 clinical medicinestomatognathic systemDrug DiscoverymedicineInnate lymphoid cellPharmacology (medical)Sjogren syndromeCytokine030203 arthritis & rheumatologyPharmacologyInflammationInnate immunityInnate immune systemSjogren syndrome.business.industryInnate lymphoid celllcsh:RAutoantibodyAcquired immune systemcytokinesstomatognathic diseases030104 developmental biologyInfectious DiseasesImmunologymedicine.symptombusiness
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Identification of biological targets through the correlation between cell line chemosensitivity and protein expression pattern.

2021

Matching biological data sequences is one of the most interesting ways to discover new bioactive compounds. In particular, matching cell chemosensitivity with a protein expression profile can be a useful approach to predict the activity of compounds against definite biological targets. In this review, we discuss this correlation. First, we analyze case studies in which some known drugs, acting on known targets, show a good correlation between their antiproliferative activities and protein expression when a large panel of tumor cells is considered. Then, we highlight how the application of in silico methods based on the correlation between cell line chemosensitivity and gene/protein expressi…

0301 basic medicineIn silicoCellAntineoplastic AgentsComputational biologyBiologyCorrelationNCI-60 cell lines panel03 medical and health sciences0302 clinical medicineCell Line TumorNeoplasmsDrug DiscoverymedicineHumansComputer SimulationMolecular Targeted TherapyChemosensitivityGeneBiological target; Chemosensitivity; NCI-60 cell lines panel; Protein expression patternPharmacologyBiological dataBiological activitySettore CHIM/08 - Chimica FarmaceuticaBiological target Chemosensitivity NCI-60 cell lines panel Protein expression patternGene Expression Regulation Neoplastic030104 developmental biologymedicine.anatomical_structureCell cultureBiological targetBiological target030220 oncology & carcinogenesisProtein expression patternDrug discovery today
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Targeting RNA structure in SMN2 reverses spinal muscular atrophy molecular phenotypes

2018

Modification of SMN2 exon 7 (E7) splicing is a validated therapeutic strategy against spinal muscular atrophy (SMA). However, a target-based approach to identify small-molecule E7 splicing modifiers has not been attempted, which could reveal novel therapies with improved mechanistic insight. Here, we chose as a target the stem-loop RNA structure TSL2, which overlaps with the 5′ splicing site of E7. A small-molecule TSL2-binding compound, homocarbonyltopsentin (PK4C9), was identified that increases E7 splicing to therapeutic levels and rescues downstream molecular alterations in SMA cells. High-resolution NMR combined with molecular modelling revealed that PK4C9 binds to pentaloop conformati…

0301 basic medicineIndolesCOMPOUND LIBRARIESDrug Evaluation PreclinicalGeneral Physics and AstronomyBiotecnologiaAnimals Genetically ModifiedExonMolecular Targeted TherapyRegulatory Elements Transcriptionallcsh:ScienceHUMAN-DISEASE GENESBIOACTIVE SMALL MOLECULESMultidisciplinaryChemistryDrug discovery[CHIM.ORGA]Chemical Sciences/Organic chemistryQImidazolesMUTATION PATTERNExonsSMA*3. Good healthCell biologySurvival of Motor Neuron 2 ProteinPhenotypeCribratgeRNA splicingNUCLEOTIDE STRUCTUREDrosophilaMESSENGER-RNACOMPUTATIONAL TOOLSMedical screeningMYOTONIC-DYSTROPHYScienceMuscular atrophyArticleGeneral Biochemistry Genetics and Molecular BiologyGenètica molecularMuscular Atrophy Spinal03 medical and health sciencesddc:570SPLICING MODIFIERSmedicineAnimalsHumansHIV-1 TARRNA MessengerAtròfia muscularMessenger RNAAlternative splicingRNAGeneral ChemistrySpinal muscular atrophymedicine.diseaseAlternative Splicing030104 developmental biologyRNAlcsh:QRNA Splice SitesHeLa CellsNature Communications
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Synthesis, antitumor activity and CDK1 inhibiton of new thiazole nortopsentin analogues

2017

A new series of thiazole nortopsentin analogues was conveniently synthesized with fair overall yields. The antiproliferative activity of the new derivatives was tested against different human tumor cell lines of the NCI full panel. Four of them showed good antitumor activity with GI(50) values from micro to nanomolar level. The mechanism of the antiproliferative effect of these derivatives, was pro-apoptotic, being associated with externalization of plasma membrane phosphatidylserine and DNA fragmentation. The most active and selective of the new thiazoles confined viable cells in G2/M phase and markedly inhibited in vitro CDK1 activity. (C) 2017 Elsevier Masson SAS.

0301 basic medicineIndolesCell SurvivalStereochemistryMolecular ConformationNortopsentin analogues3-b]pyridinesAntineoplastic AgentsApoptosisMarine alkaloids Nortopsentin analogues Antiproliferative activity Apoptosis CDK1 inhibitors Thiazolyl-1H-pyrrolo[23-b]pyridinesAntiproliferative activity01 natural sciencesStructure-Activity Relationship03 medical and health scienceschemistry.chemical_compoundMarine alkaloidsCDC2 Protein KinaseDrug DiscoveryHumansThiazoleProtein Kinase InhibitorsCell ProliferationPharmacologyCyclin-dependent kinase 1Dose-Response Relationship DrugMarine alkaloids; Nortopsentin analogues; Antiproliferative activity; Apoptosis; CDK1 inhibitors; Thiazolyl-1H-pyrrolo[2; 3-b]pyridines010405 organic chemistryOrganic ChemistryImidazolesGeneral MedicinePhosphatidylserineThiazolyl-1H-pyrrolo[2Settore CHIM/08 - Chimica FarmaceuticaCyclin-Dependent KinasesIn vitro0104 chemical sciencesCDK1 inhibitors030104 developmental biologyMembranechemistryCell cultureApoptosisMCF-7 CellsDNA fragmentationCaco-2 CellsDrug Screening Assays Antitumor
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Double-exponential kinetics of binding and redistribution of the fluorescent dyes in cell membranes witness for the existence of lipid microdomains.

2018

Abstract New technique of detecting lateral heterogeneity of the plasma membrane of living cells by means of membrane-binding fluorescent dyes is proposed. The kinetics of dye incorporation into the membrane or its lateral diffusion inside the membrane is measured and decomposed into exponential components by means of the Maximum Entropy Method. Two distinct exponential components are obtained consistently in all cases for several fluorescent dyes, two different cell lines and in different types of experiments including spectroscopy, flow cytometry and fluorescence recovery after photobleaching. These components are attributed to the liquid-ordered and disordered phases in the plasma membra…

0301 basic medicineKineticsBiophysicsBiochemistryFlow cytometry03 medical and health sciencesJurkat Cells0302 clinical medicineMembrane MicrodomainsmedicineHumansSpectroscopyMolecular BiologyDynamic equilibriumFluorescent Dyesmedicine.diagnostic_testChemistryLipid microdomainFluorescence recovery after photobleachingCell BiologyFluorescenceLipidsKinetics030104 developmental biologyMembraneSpectrometry Fluorescence030220 oncology & carcinogenesisBiophysicsFluorescence Recovery After PhotobleachingHeLa CellsBiochemical and biophysical research communications
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