Search results for " Molecular Medicine"

showing 10 items of 39 documents

Discovery of benzimidazole-based Leishmania mexicana cysteine protease CPB2.8ΔCTE inhibitors as potential therapeutics for leishmaniasis

2018

Abstract: Chemotherapy is currently the only effective approach to treat all forms of leishmaniasis. However, its effectiveness is severely limited due to high toxicity, long treatment length, drug resistance, or inadequate mode of administration. As a consequence, there is a need to identify new molecular scaffolds and targets as potential therapeutics for the treatment of this disease. We report a small series of 1,2‐substituted‐1H‐benzo[d]imidazole derivatives (9ad) showing affinity in the submicromolar range (Ki = 0.150.69 μM) toward Leishmania mexicanaCPB2.8ΔCTE, one of the more promising targets for antileishmanial drug design. The compounds confirmed activity in vitro against intrace…

BenzimidazoleCell SurvivalIn silicoLeishmania mexicanaAntiprotozoal AgentsDrug Evaluation PreclinicalProtozoan ProteinsDrug resistanceCysteine Proteinase InhibitorsPharmacologyAntileishmanial agents Benzimidazole derivatives Docking studies In silico profiling Leishmania mexicanaCPB2.8 Biochemistry Molecular Medicine01 natural sciencesBiochemistryLeishmania mexicanaCell LineInhibitory Concentration 50chemistry.chemical_compoundCysteine ProteasesDrug DiscoverymedicineHumansAmastigoteLeishmaniasisBiologyEnzyme AssaysPharmacologyBinding Sitesbiology010405 organic chemistryChemistryPharmacology. TherapyOrganic ChemistryHydrogen BondingLeishmaniasisbiology.organism_classificationmedicine.diseaseLeishmaniaProtein Structure Tertiary0104 chemical sciencesMolecular Docking Simulation010404 medicinal & biomolecular chemistryChemistryMolecular MedicineBenzimidazolesHuman medicineLeishmania infantumChemical biology and drug design
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Colorectal Cancer Stem Cells: From the Crypt to the Clinic

2014

Since their first discovery, investigations of colorectal cancer stem cells (CSCs) have revealed some unexpected properties, including a high degree of heterogeneity and plasticity. By exploiting a combination of genetic, epigenetic, and microenvironmental factors, colorectal CSCs metastasize, resist chemotherapy, and continually adapt to a changing microenvironment, representing a formidable challenge to cancer eradication. Here, we review the current understanding of colorectal CSCs, including their origin, relationship to stem cells of the intestine, phenotypic characterization, and underlying regulatory mechanisms. We also discuss limitations to current preclinical models of colorectal …

Pluripotent Stem CellsColorectal cancerAnimals; Colonic Neoplasms; Colorectal Neoplasms; Disease Models Animal; Gene Expression Regulation Neoplastic; Humans; Intestines; Neoplastic Stem Cells; Pluripotent Stem Cells; Tumor EscapeCryptAnimals; Colonic Neoplasms; Colorectal Neoplasms; Disease Models Animal; Gene Expression Regulation Neoplastic; Humans; Intestines; Neoplastic Stem Cells; Pluripotent Stem Cells; Tumor Escape; Molecular Medicine; Genetics; Cell BiologyBiologySettore MED/04 - PATOLOGIA GENERALEmedicineGeneticsAnimalsHumansEpigeneticsRegulation of gene expressionNeoplasticAnimalCancerCell Biologymedicine.diseasePhenotypeGene Expression Regulation NeoplasticIntestinesDisease Models AnimalTumor EscapeGene Expression RegulationImmunologyColonic NeoplasmsDisease ModelsCancer researchNeoplastic Stem CellsMolecular MedicineTumor EscapeStem cellColorectal Neoplasmscolorectal cancer stem cells CSCsCell Stem Cell
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Reaction between Indazole and Pd-Bound Isocyanides-A Theoretical Mechanistic Study

2018

The mechanism of the addition of indazole (Ind)&mdash

Models Molecular3003Activation of small moleculesIndazolesisocyanideIsocyanidePharmaceutical ScienceDFT calculationProtonation010402 general chemistryDFT calculationsactivation of small molecule01 natural sciencesMedicinal chemistryArticleAnalytical Chemistrylcsh:QD241-441chemistry.chemical_compoundDeprotonationNucleophilelcsh:Organic chemistryTheoreticalModelsDrug DiscoveryNitrilesPhysical and Theoretical ChemistryMechanical PhenomenaIndazoleNucleophilic additionCyanidesMolecular Structure010405 organic chemistrynitrileDrug Discovery3003 Pharmaceutical ScienceOrganic ChemistryRegioselectivityMolecularIsocyanidesModels TheoreticalTautomer0104 chemical sciencesnucleophilic additionchemistryChemistry (miscellaneous)Settore CHIM/03 - Chimica Generale E InorganicaMolecular Medicinereaction mechanismActivation of small molecules; DFT calculations; Isocyanides; Nitriles; Nucleophilic addition; Reaction mechanism; Cyanides; Indazoles; Models Molecular; Molecular Structure; Palladium; Mechanical Phenomena; Models Theoretical; Analytical Chemistry; Chemistry (miscellaneous); Molecular Medicine; 3003; Drug Discovery3003 Pharmaceutical Science; Physical and Theoretical Chemistry; Organic ChemistryPalladium
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Carnosine Inhibits Aβ42Aggregation by Perturbing the H-Bond Network in and around the Central Hydrophobic Cluster

2013

Aggregation of the amyloid-β peptide (Aβ) into fibrillar structures is a hallmark of Alzheimer's disease. Thus, preventing self-assembly of the Aβ peptide is an attractive therapeutic strategy. Here, we used experimental techniques and atomistic simulations to investigate the influence of carnosine, a dipeptide naturally occurring in the brain, on Aβ aggregation. Scanning force microscopy, circular dichroism and thioflavin T fluorescence experiments showed that carnosine does not modify the conformational features of Aβ42 but nonetheless inhibits amyloid growth. Molecular dynamics (MD) simulations indicated that carnosine interacts transiently with monomeric Aβ42 by salt bridges with charge…

Circular dichroismMagnetic Resonance Spectroscopy1303 BiochemistryStereochemistryStatic ElectricityCarnosinePeptideMolecular Dynamics SimulationBiochemistryproteinprotein interactionsProtein–protein interactionchemistry.chemical_compoundMolecular dynamicsnutraceutical compounds10019 Department of Biochemistry1312 Molecular BiologyMolecular Biologychemistry.chemical_classificationAmyloid beta-PeptidesDipeptideHydrogen bondOrganic ChemistryIntermolecular forceTemperatureneuroprotective agentHydrogen BondingAlzheimer's diseasePeptide Fragmentsmolecular dynamicscarnosinechemistry1313 Molecular Medicine570 Life sciences; biologyMolecular MedicineHydrophobic and Hydrophilic Interactionsprotein aggregation fibrillogenesis carnosine AFM1605 Organic ChemistryChemBioChem
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A Library-Based Screening Strategy for the Identification of DARPins as Ligands for Receptor-Targeted AAV and Lentiviral Vectors

2021

Delivering genes selectively to the therapeutically relevant cell type is among the prime goals of vector development. Here, we present a high-throughput selection and screening process that identifies designed ankyrin repeat proteins (DARPins) optimally suited for receptor-targeted gene delivery using adeno-associated viral (AAV) and lentiviral (LV) vectors. In particular, the process includes expression, purification, and in situ biotinylation of the extracellular domains of target receptors as Fc fusion proteins in mammalian cells and the selection of high-affinity binders by ribosome display from DARPin libraries each covering more than 1012 variants. This way, DARPins specific for the …

0301 basic medicinelcsh:QH426-470610 Medicine & healthComputational biologyQH426-470BiologyGene deliveryArticleViral vector03 medical and health sciences0302 clinical medicine1311 GeneticsLV10019 Department of Biochemistry1312 Molecular BiologyGeneticsVector (molecular biology)lcsh:QH573-671Molecular Biology030304 developmental biology0303 health sciencesQH573-671lcsh:Cytology10179 Institute of Medical Microbiologyribosome displayCorrectionAAVFusion proteinlcsh:GeneticsCD105NKp46DARPin030104 developmental biologyGluA4DARPin1313 Molecular Medicine030220 oncology & carcinogenesisBiotinylationRibosome displayreceptor-targeted viral vectors570 Life sciences; biologyMolecular MedicineAnkyrin repeatCytologyMolecular Therapy - Methods & Clinical Development
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Molecular and Translational Classifications of DAMPs in Immunogenic Cell Death

2015

The immunogenicity of malignant cells has recently been acknowledged as a critical determinant of efficacy in cancer therapy. Thus, besides developing direct immunostimulatory regimens, including dendritic cell-based vaccines, checkpoint-blocking therapies, and adoptive T-cell transfer, researchers have started to focus on the overall immunobiology of neoplastic cells. It is now clear that cancer cells can succumb to some anticancer therapies by undergoing a peculiar form of cell death that is characterized by an increased immunogenic potential, owing to the emission of the so-called "damage-associated molecular patterns" (DAMPs). The emission of DAMPs and other immunostimulatory factors by…

medicine.medical_treatmentAPOPTOTIC CALRETICULIN EXPOSUREanti-tumor immunityimmunogenicityPHOTODYNAMIC THERAPY0302 clinical medicinetranslational medicineoncoimmunologyImmunology and AllergyCytotoxic T cellMedicineAnti-tumor immunity; Immunogenicity; Immunotherapy; Molecular medicine; Oncoimmunology; Patient prognosis; Translational medicine; Immunology; Immunology and Allergy0303 health sciencesanti-tumor immunity; immunogenicity; immunotherapy; molecular medicine; oncoimmunology; patient prognosis; translational medicineRIBOSOMAL-PROTEIN DIMERClassificationddc:3. Good health030220 oncology & carcinogenesisImmunogenic cell deathMolecular MedicineimmunotherapyACTIVATING POLYPEPTIDE-IIHIGH HYDROSTATIC-PRESSURElcsh:Immunologic diseases. AllergyANTICANCER IMMUNE-RESPONSESImmunology3122 Cancers610 Medicine & healthpatient prognosis03 medical and health sciencesImmune systemHUMAN TUMOR-CELLSFORMYL PEPTIDE RECEPTORS030304 developmental biologybusiness.industryTranslational medicineBiology and Life SciencesCYTOTOXIC T-LYMPHOCYTESImmunotherapyDendritic cellMolecular medicineNEGATIVE BREAST-CANCERImmunologyCancer cellmolecular dicine3111 Biomedicinebusinesslcsh:RC581-607Frontiers in Immunology
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CD44v6 is a marker of constitutive and reprogrammed cancer stem cells driving colon cancer metastasis.

2014

SummaryCancer stem cells drive tumor formation and metastasis, but how they acquire metastatic traits is not well understood. Here, we show that all colorectal cancer stem cells (CR-CSCs) express CD44v6, which is required for their migration and generation of metastatic tumors. CD44v6 expression is low in primary tumors but demarcated clonogenic CR-CSC populations. Cytokines hepatocyte growth factor (HGF), osteopontin (OPN), and stromal-derived factor 1α (SDF-1), secreted from tumor associated cells, increase CD44v6 expression in CR-CSCs by activating the Wnt/β-catenin pathway, which promotes migration and metastasis. CD44v6− progenitor cells do not give rise to metastatic lesions but, when…

CA15-3Animals; Biomarkers Tumor; Bone Morphogenetic Proteins; Carcinogenesis; Colonic Neoplasms; Fibroblasts; Humans; Hyaluronan Receptors; Mice SCID; Neoplasm Metastasis; Neoplasm Proteins; Neoplastic Stem Cells; Phosphatidylinositol 3-Kinases; Prognosis; Protein Kinase Inhibitors; Proto-Oncogene Proteins c-met; Signal Transduction; Treatment Outcome; Wnt Proteins; Cellular Reprogramming; Molecular Medicine; Genetics; Cell BiologyCarcinogenesisWnt ProteinMice SCIDmedicine.disease_causeAnimals; Antigens CD44; Biomarkers Tumor; Bone Morphogenetic Proteins; Carcinogenesis; Colonic Neoplasms; Fibroblasts; Humans; Mice SCID; Neoplasm Metastasis; Neoplasm Proteins; Neoplastic Stem Cells; Phosphatidylinositol 3-Kinases; Prognosis; Protein Kinase Inhibitors; Proto-Oncogene Proteins c-met; Signal Transduction; Treatment Outcome; Wnt Proteins; Cellular ReprogrammingMetastasisMicePhosphatidylinositol 3-KinasesCD44Neoplasm MetastasisCarcinogenesiPhosphoinositide-3 Kinase InhibitorsColonic NeoplasmTumorbiologyProto-Oncogene Proteins c-metCellular ReprogrammingPrognosisAntigens CD44Neoplasm ProteinsNeoplasm MetastasiAnimals; Antigens CD44; Biomarkers Tumor; Bone Morphogenetic Proteins; Carcinogenesis; Colonic Neoplasms; Fibroblasts; Humans; Mice SCID; Neoplasm Metastasis; Neoplasm Proteins; Neoplastic Stem Cells; Phosphatidylinositol 3-Kinases; Prognosis; Protein Kinase Inhibitors; Proto-Oncogene Proteins c-met; Signal Transduction; Treatment Outcome; Wnt Proteins; Cellular Reprogramming; Cell Biology; Molecular Medicine; GeneticsHyaluronan ReceptorsTreatment OutcomeBone Morphogenetic ProteinsColonic NeoplasmsNeoplastic Stem CellsFibroblastMolecular MedicineHepatocyte growth factorStem cellHumanmedicine.drugSignal TransductionPrognosiProtein Kinase InhibitorSCIDNeoplasm ProteinCancer stem cellSettore MED/04 - PATOLOGIA GENERALEmedicineGeneticsBiomarkers TumorAnimalsHumansAntigensProgenitor cellProtein Kinase InhibitorsSettore MED/04 - Patologia GeneraleAnimalBone Morphogenetic Proteincancer metastasisCD44Cell BiologyFibroblastsmedicine.diseaseWnt ProteinsSettore MED/18 - Chirurgia GeneraleImmunologyCancer researchbiology.proteinNeoplastic Stem CellPhosphatidylinositol 3-KinaseCarcinogenesisBiomarkersCell stem cell
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Current disease modifying approaches to treat Parkinson's disease

2015

Parkinson's disease (PD is a progressive neurological disorder characterized by the degeneration and death of midbrain dopamine and non-dopamine neurons in the brain leading to motor dysfunctions and other symptoms, which seriously influence the quality of life of PD patients. The drug L-dopa can alleviate the motor symptoms in PD, but so far there are no rational therapies targeting the underlying neurodegenerative processes. Despite intensive research, the molecular mechanisms causing neuronal loss are not fully understood which has hampered the development of new drugs and disease-modifying therapies. Neurotrophic factors are by virtue of their survival promoting activities attract candi…

0301 basic medicinemedicine.medical_specialtyParkinson's diseaseNeurturinNeurotrophic factorBiologySettore BIO/09 - Fisiologia03 medical and health sciencesCellular and Molecular Neuroscience0302 clinical medicineNeuroinflammationDopamineNeurotrophic factorsInternal medicineα-SynucleinmedicineGlial cell line-derived neurotrophic factorMolecular BiologyCerebral dopamine neurotrophic factorDopamine neuronPharmacologyDopaminergicCell Biologymedicine.diseaseDopamine neurons; ER stress; Mitochondria; Neuroinflammation; Neuropeptides; Neurotrophic factors; Protein aggregation; α-Synuclein; Molecular Medicine; Molecular Biology; Pharmacology; Cellular and Molecular Neuroscience; Cell Biology3. Good healthMitochondriaNeuropeptide030104 developmental biologyNerve growth factorEndocrinologybiology.proteinER streMolecular MedicineProtein aggregationNeuroscience030217 neurology & neurosurgerymedicine.drug
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Preclinical Activity of New [1,2]Oxazolo[5,4-e]isoindole Derivatives in Diffuse Malignant Peritoneal Mesothelioma

2016

A series of 22 derivatives of the [1,2]oxazolo[5,4-e]isoindole system were synthesized through an efficient and versatile procedure that involves the annelation of the [1,2]oxazole moiety to the isoindole ring, producing derivatives with a wide substitution pattern. The structure-activity relationship indicates that the N-4-methoxybenzyl group appears crucial for potent activity. In addition, the presence of a 6-phenyl moiety is important and the best activity is reached with a 3,4,5-trimethoxy substituent. The most active compound, bearing both the structural features, was able to inhibit tumor cell proliferation at nanomolar concentrations when tested against the full NCI human tumor cell…

MesotheliomaLung NeoplasmsMice NudeAntineoplastic AgentsApoptosisIsoindoles01 natural sciencesMiceStructure-Activity Relationship03 medical and health scienceschemistry.chemical_compound0302 clinical medicineIn vivoDrug DiscoveryTumor Cells CulturedAnimalsHumansMoietyPeritoneal NeoplasmsCell ProliferationOxazoleDose-Response Relationship DrugMolecular Structure010405 organic chemistryChemistryCell growthMedicine (all)Drug Discovery3003 Pharmaceutical ScienceCell CycleMesothelioma MalignantNeoplasms ExperimentalSettore CHIM/08 - Chimica FarmaceuticaIn vitro0104 chemical sciencesMedicine (all); Molecular Medicine; Drug Discovery3003 Pharmaceutical ScienceBiochemistryApoptosisCell culture030220 oncology & carcinogenesisMolecular MedicineDrug Screening Assays AntitumorIsoindoleJournal of Medicinal Chemistry
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Bioengineering Thymus Organoids to Restore Thymic Function and Induce Donor-Specific Immune Tolerance to Allografts.

2015

One of the major obstacles in organ transplantation is to establish immune tolerance of allografts. Although immunosuppressive drugs can prevent graft rejection to a certain degree, their efficacies are limited, transient, and associated with severe side effects. Induction of thymic central tolerance to allografts remains challenging, largely because of the difficulty of maintaining donor thymic epithelial cells in vitro to allow successful bioengineering. Here, the authors show that three-dimensional scaffolds generated from decellularized mouse thymus can support thymic epithelial cell survival in culture and maintain their unique molecular properties. When transplanted into athymic nude …

medicine.medical_specialtyLymphocyteBioengineeringThymus GlandBiologyRegenerative MedicineRegenerative medicineOrgan transplantationImmune toleranceMiceGeneticDrug DiscoveryImmune ToleranceGeneticsmedicineAnimalsTransplantation HomologousProgenitor cellMolecular BiologyMolecular Biology; Molecular Medicine; Genetics; Drug Discovery3003 Pharmaceutical Science; PharmacologyPharmacologyDecellularizationDrug Discovery3003 Pharmaceutical ScienceEpithelial CellsAllograftsOrganoidssurgical procedures operativemedicine.anatomical_structureImmunologyCancer researchMolecular MedicineOriginal ArticleCentral toleranceHoming (hematopoietic)
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