Search results for "activity"

showing 10 items of 7178 documents

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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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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In Silico Insights towards the Identification of NLRP3 Druggable Hot Spots

2019

NLRP3 (NOD-like receptor family, pyrin domain-containing protein 3) activation has been linked to several chronic pathologies, including atherosclerosis, type-II diabetes, fibrosis, rheumatoid arthritis, and Alzheimer’s disease. Therefore, NLRP3 represents an appealing target for the development of innovative therapeutic approaches. A few companies are currently working on the discovery of selective modulators of NLRP3 inflammasome. Unfortunately, limited structural data are available for this target. To date, MCC950 represents one of the most promising noncovalent NLRP3 inhibitors. Recently, a possible region for the binding of MCC950 to the NLRP3 protein was described but no details were …

0301 basic medicineInflammasomesComputer sciencehomology modelingMolecular ConformationDruggabilitymcc950Ligands01 natural sciencesPyrin domainlcsh:Chemistrynlrp3 modulationlcsh:QH301-705.5SpectroscopyMolecular Structureintegumentary systemCommunicationInflammasomeGeneral MedicineComputer Science ApplicationsMolecular Docking SimulationdockingProtein Bindingmedicine.drugIn silicoinduced-fit dockingComputational biologyMolecular Dynamics Simulation010402 general chemistryCatalysisInorganic ChemistryStructure-Activity Relationship03 medical and health sciencesNLR Family Pyrin Domain-Containing 3 Proteinnacht domainmedicineHumansHomology modelingPhysical and Theoretical ChemistryMolecular BiologyBinding SitesOrganic ChemistryHydrogen BondingBinding processmolecular dynamics0104 chemical sciences030104 developmental biologylcsh:Biology (General)lcsh:QD1-999Docking (molecular)MutationNACHT domainwalker bInternational Journal of Molecular Sciences
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Synthesis and in vitro leishmanicidal activity of novel [1,2,3]triazolo[1,5-a]pyridine salts

2017

Leishmaniasis remains a significant worldwide problem; it is of great interest to develop new drugs to fight this disease. Recently we described some [1,2,3] triazolo[1,5-a] pyridine compounds with significant leishmanicidal activity. The importance of water solubility in drug action made us realise that we could transform non charged triazolopyridines into charged analogues that could increase the degree of water solubility. With this objective we report here the synthesis of novel [1,2,3] triazolo[1,5-a] pyridinium salts 2-7 from triazolopyridines 1, and the study of their in vitro leishmanicidal activity. The activity was tested on Leishmania infantum, Leishmania braziliensis and Leishma…

0301 basic medicineInhibitorGeneral Chemical EngineeringLeishmania donovaniDrug action01 natural sciences03 medical and health scienceschemistry.chemical_compoundparasitic diseasesTriazolopyridinesAmastigoteCytotoxicityImidazolebiologyChronic phases010405 organic chemistryChemistryBinding.Vivo trypanosomicidal activityGeneral Chemistrybiology.organism_classificationLeishmania braziliensisIn vitro0104 chemical sciencesChemistry030104 developmental biologyBiochemistry123-triazolesAntibacterial activityPyridiniumLeishmania infantumDerivativesRSC Advances
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Does iris(in) bring bad news or good news?

2017

Irisin, a novel myokine produced in response to physical activity, promotes white-to-brown fat transdifferentiation. The name irisin referred to the ancient Greek goddess Iris, the messenger who delivered (bad) news from the gods. In mice, it has been demonstrated that irisin plays a key role in metabolic regulation, energy expenditure and glucose homeostasis. New findings from various studies carried out in both animals and humans suggest that irisin might also have other favorable effects, such as increasing bone cortical mass, preventing hepatic lipid accumulation, and improving cognitive functions, thus mediating many exercise-induced health benefits. However, data on the role and funct…

0301 basic medicineIrisinmedicine.medical_specialtyPhysical activitySkeletal muscle030209 endocrinology & metabolismHealth benefitsBioinformaticsType 2 diabeteSettore MED/13 - Endocrinologia03 medical and health sciences0302 clinical medicineMyokineInternal medicineMyokinemedicineAnimalsHomeostasisHumansGlucose homeostasisLack of knowledgeObesitySettore MED/49 - Scienze Tecniche Dietetiche ApplicateMuscle SkeletalExercisebusiness.industryFibronectinsPsychiatry and Mental healthClinical PsychologyGlucose030104 developmental biologyEndocrinologyAdipose TissueEnergy expenditureMetabolic regulationHepatic lipidAdipose tissue browningEnergy MetabolismbusinessEating and Weight Disorders - Studies on Anorexia, Bulimia and Obesity
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Zinc(II) Complexes of Amino Acids as New Active Ingredients for Anti-Acne Dermatological Preparations.

2021

Zinc compounds have a number of beneficial properties for the skin, including antimicrobial, sebostatic and demulcent activities. The aim of the study was to develop new anti-acne preparations containing zinc–amino acid complexes as active ingredients. Firstly, the cytotoxicity of the zinc complexes was evaluated against human skin fibroblasts (1BR.3.N cell line) and human epidermal keratinocyte cell lines, and their antimicrobial activity was determined against Cutibacterium acnes. Then, zinc complexes of glycine and histidine were selected to create original gel formulations. The stability (by measuring pH, density and viscosity), microbiological purity (referring to PN-EN ISO standards) …

0301 basic medicineKeratinocytesGlycineSkin Creamchemistry.chemical_elementHuman skinZincCatalysisArticleCell LineInorganic Chemistrylcsh:Chemistry030207 dermatology & venereal diseases03 medical and health sciences0302 clinical medicineantibacterial activityAcne VulgarismedicineHumansHistidinePhysical and Theoretical Chemistryzinc(II) complexesMolecular Biologylcsh:QH301-705.5acneSpectroscopyAcneHistidineSkinActive ingredientamino acidsChromatographyOrganic Chemistryskin toleranceGeneral MedicinePropionibacteriaceaeAntimicrobialmedicine.diseaseComputer Science ApplicationsAnti-Bacterial AgentsZinc030104 developmental biologychemistrylcsh:Biology (General)lcsh:QD1-999Zinc CompoundsGlycinecytotoxicityAntibacterial activityInternational journal of molecular sciences
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Entrapment of Citrus limon var. pompia Essential Oil or Pure Citral in Liposomes Tailored as Mouthwash for the Treatment of Oral Cavity Diseases

2020

This work aimed at developing a mouthwash based on liposomes loading Citrus limon var. pompia essential oil or citral to treat oropharyngeal diseases. Vesicles were prepared by dispersing phosphatidylcholine and pompia essential oil or citral at increasing amounts (12, 25 and 50 mg/mL) in water. Transparent vesicle dispersions were obtained by direct sonication avoiding the use of organic solvents. Cryogenic transmission electron microscopy (cryo-TEM) confirmed the formation of unilamellar, spherical and regularly shaped vesicles. Essential oil and citral loaded liposomes were small in size (~110 and ~100 nm, respectively) and negatively charged. Liposomes, especially those loading citral, …

0301 basic medicineLemonsSonicationkeratinocyte migrationlcsh:Medicinelcsh:RS1-441Pharmaceutical Sciencehydrogen peroxide02 engineering and technologyMalalties de la bocaCitral<i>Streptococcus mutans</i>law.inventionlcsh:Pharmacy and materia medica03 medical and health scienceschemistry.chemical_compoundlawPhosphatidylcholinescratch assayDrug DiscoveryLlimonesanticaries activityKeratinocyte migration<i>Citrus limon</i> essential oilHydrogen peroxideEssential oilLiposomeOlis essencialsChromatographyVesiclelcsh:RStreptococcusEstreptococs021001 nanoscience & nanotechnology030104 developmental biologyMouth diseaseschemistryEssences and essential oilsMolecular Medicine0210 nano-technology
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Pyrrolo[3',2':6,7]cyclohepta[1,2-b]pyridines with potent photo-antiproliferative activity.

2017

Abstract Pyrrolo[3′,2′:6,7]cyclohepta[1,2-b]pyridines were synthesized as a new class of tricyclic system in which the pyridine ring is annelated to a cycloheptapyrrole scaffold, with the aim of obtaining new photosensitizing agents with improved antiproliferative activity and lower undesired toxic effects. A versatile synthetic pathway was approached, which allowed the isolation of derivatives of the title ring system with a good substitution pattern on the pyrrole moiety. Photobiological studies revealed that the majority of the new compounds showed a potent cytotoxic effect upon photoactivation with light of the proper wavelength, especially when decorated with a 2-ethoxycabonyl group an…

0301 basic medicineLightPyridines01 natural sciencesAntioxidantschemistry.chemical_compound7]cyclohepta[1NeoplasmsDrug DiscoveryTumor Cells CulturedMoietyPyrrolechemistry.chemical_classificationPhotosensitizing AgentsGeneral MedicinePhotosensitizing AgentPyrrolo[3′2′:67]cyclohepta[12-b]pyridine-9(1H)-oneReactive oxygen speciemedicine.symptomPhototoxicity2-b]pyridine-9(1H)-onesStereochemistryBlotting WesternPhoto-antiproliferative activityAntineoplastic AgentsRing (chemistry)Phototoxicity03 medical and health sciencesStructure-Activity RelationshipPyridinemedicineHumansPyrrolo[3′PyrrolesCell ProliferationPharmacologyPhotosensitizing agent010405 organic chemistry2′:6Drug Discovery3003 Pharmaceutical ScienceOrganic ChemistryPhoto-antiproliferative activity; Photosensitizing agents; Phototoxicity; Pyrrolo[3′2′:67]cyclohepta[12-b]pyridine-9(1H)-ones; Reactive oxygen species; Pharmacology; Drug Discovery3003 Pharmaceutical Science; Organic ChemistryCombinatorial chemistry0104 chemical sciences030104 developmental biologychemistryMechanism of actionPhoto-antiproliferative activity; Photosensitizing agents; Phototoxicity; Pyrrolo[3′; 2′:6; 7]cyclohepta[1; 2-b]pyridine-9(1H)-ones; Reactive oxygen species; Pharmacology; Drug Discovery3003 Pharmaceutical Science; Organic ChemistryDrug Screening Assays AntitumorReactive Oxygen SpeciesTricyclicEuropean journal of medicinal chemistry
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Anti-Inflammatory Activity and Cheminformatics Analysis of New Poten t 2-Substituted 1-Methyl-5-Nitroindazolinones.

2018

After the identification of the anti-inflammatory properties of VA5-13l (2-benzyl-1- methyl-5-nitroindazolinone) in previous investigations, some of its analogous compounds were designed, synthesized and evaluated in two anti-inflammatory methods: LPS-enhanced leukocyte migration assay in zebrafish; and 12-O-tetradecanoylphorbol-13-acetate (TPA)-induced mouse ear edema. The products evaluated (3, 6, 8, 9 and 10) showed the lower values of relative leukocyte migration at 30#181;M (0.14, 0.07, 0.10, 0.13 and 0.07, respectively), while in ear edema and myeloperoxidase activity methods, all the compounds reduced inflammation, only 4 and 16 yielded unsatisfactory results. The relationship linkin…

0301 basic medicineLipopolysaccharidesLeukocyte migrationIndazolesInformaticsStereochemistrymedicine.drug_classSubstituentNitric Oxide Synthase Type IINitric OxideAnti-inflammatory03 medical and health scienceschemistry.chemical_compoundStructure-Activity RelationshipDrug DiscoverymedicineMoietyStructure–activity relationshipAnimalsHumans[SDV.BBM]Life Sciences [q-bio]/Biochemistry Molecular BiologyMethyleneComputingMilieux_MISCELLANEOUSAlkylZebrafishchemistry.chemical_classificationIndazoleCyclooxygenase 2 InhibitorsDose-Response Relationship DrugMolecular StructureChemistryTumor Necrosis Factor-alphaAnti-Inflammatory Agents Non-SteroidalGeneral MedicineNitro Compounds3. Good health030104 developmental biologyCyclooxygenase 2Current topics in medicinal chemistry
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The New Structure of Core Oligosaccharide Presented by Proteus penneri 40A and 41 Lipopolysaccharides

2018

The new type of core oligosaccharide in Proteus penneri 40A and 41 lipopolysaccharides has been investigated by 1H and 13C NMR spectroscopy, electrospray ionization mass spectrometry and chemical methods. Core oligosaccharides of both strains were chosen for structural analysis based on the reactivity of LPSs with serum against P. penneri 40A core oligosaccharide–diphtheria toxoid conjugate. Structural analyses revealed that P. penneri 40A and 41 LPSs possess an identical core oligosaccharide.

0301 basic medicineLipopolysaccharidesSpectrometry Mass Electrospray IonizationMagnetic Resonance SpectroscopyStereochemistryElectrospray ionizationOligosaccharidesanti-conjugate serum; core oligosaccharide; lipopolysaccharide; NMR spectroscopy; ESI MS; <i>Proteus penneri</i>Immune seraProteus penneriCatalysisArticleInorganic Chemistrycore oligosaccharidelcsh:Chemistry03 medical and health sciencesStructure-Activity Relationship13c nmr spectroscopyNMR spectroscopyMoleculePhysical and Theoretical ChemistryESI MSMolecular Biologylcsh:QH301-705.5SpectroscopyAntigens Bacterial030102 biochemistry & molecular biologybiologyMolecular StructureChemistryCore oligosaccharideImmune Seraanti-conjugate serumOrganic ChemistrylipopolysaccharideGeneral MedicineNuclear magnetic resonance spectroscopybiology.organism_classificationProteus penneriComputer Science Applicationslcsh:Biology (General)lcsh:QD1-999ConjugateInternational Journal of Molecular Sciences
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