Search results for "DISCOVERY"

showing 10 items of 4119 documents

How Molecular Topology Can Help in Amyotrophic Lateral Sclerosis (ALS) Drug Development: A Revolutionary Paradigm for a Merciless Disease

2022

r Abstract: Even if amyotrophic lateral sclerosis is still considered an orphan disease to date, its prevalence among the population is growing fast. Despite the efforts made by researchers and pharmaceutical companies, the cryptic information related to the biological and physiological onset mechanisms, as well as the complexity in identifying specific pharmacological targets, make it almost impossible to find effective treatments. Furthermore, because of complex ethical and economic aspects, it is usually hard to find all the necessary resources when searching for drugs for new orphan diseases. In this context, computational methods, based either on receptors or ligands, share the capabil…

amyotrophic lateral sclerosisamyotrophic lateral sclerosis; orphan diseases; molecular topology; drug design; QSAR; drug repurposingdrug repurposingdrug designQSARRPharmaceutical ScienceArticlemolecular topologyRS1-441orphan diseasesPharmacy and materia medicaDrug DiscoveryMolecular MedicineMedicinePharmaceuticals; Volume 15; Issue 1; Pages: 94
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Coordination Chemistry of a Bis(Tetrazine) Tweezer: A Case of Host-Guest Behavior with Silver Salts

2021

The carbon-carbon cross-coupling of phenyl s-tetrazine (Tz) units at their ortho-phenyl positions allows the formation of constrained bis(tetrazines) with original tweezer structures. In these compounds, the face-to-face positioning of the central tetrazine cores is reinforced by π-stacking of the electron-poor nitrogen-containing heteroaromatic moieties. The resulting tetra-aromatic structure can be used as a weak coordinating ligand with cationic silver. This coordination generates a set of bis(tetrazine)-silver(I) coordination complexes tolerating a large variety of counter anions of various geometries, namely, PF6−, BF4−, SbF6−, ClO4−, NTf2−, and OTf−. These compounds were characterized…

analytical_chemistrycoordinationAbsorption spectroscopyPharmaceutical ScienceCrystal structure010402 general chemistryElectrochemistryligand01 natural sciencesArticleXRD structureAnalytical ChemistryCoordination complexTetrazinechemistry.chemical_compoundQD241-441bis(tetrazine)Drug Discovery[CHIM.CRIS]Chemical Sciences/Cristallography[CHIM.COOR]Chemical Sciences/Coordination chemistrysilverPhysical and Theoretical Chemistryhost-guestchemistry.chemical_classification010405 organic chemistryLigandOrganic ChemistryCationic polymerization0104 chemical sciencesCrystallographychemistryChemistry (miscellaneous)Molecular MedicineStoichiometryMolecules
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Chemometric Tools to Point Out Benchmarks and Chromophores in Pigments through Spectroscopic Data Analyses

2021

Spectral preprocessing data and chemometric tools are analytical methods widely applied in several scientific contexts i.e., in archaeometric applications. A systematic classification of natural powdered pigments of organic and inorganic nature through Principal Component Analysis with a multi-instruments spectroscopic study is presented here. The methodology allows the access to elementary and molecular unique benchmarks to guide and speed up the identification of an unknown pigment and its recipe. This study is conducted on a set of 48 powdered pigments and tested on a real-case sample from the wall painting in S. Maria Delle Palate di Tusa (Messina, Italy). Four spectroscopic techniques …

ancient pigmentsspectroscopic techniquesOrganic ChemistryPharmaceutical Scienceancient pigments; spectroscopic techniques; chemometrics discrimination; elemental and molecular benchmarksArticlechemometrics discriminationAnalytical Chemistryelemental and molecular benchmarksQD241-441Chemistry (miscellaneous)Drug DiscoveryMolecular MedicinePhysical and Theoretical ChemistryMolecules; Volume 27; Issue 1; Pages: 163
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Hsp60, a Novel Target for Antitumor Therapy: Structure-Function Features and Prospective Drugs Design

2013

Heat shock protein 60 kDa (Hsp60) is a chaperone classically believed to be involved in assisting the correct folding of other mitochondrial proteins. Hsp60 also plays a role in cytoprotection against cell stressors, displaying for example, antiapoptotic potential. Despite the plethora of studies devoted to the mechanism of Hsp60's function, especially in prokaryotes, fundamental issues still remain unexplored, including the definition of its role in cancer. Key questions still unanswered pertain to the differences in structure-function features that might exist between the well-studied prokaryotic GroEL and the largely unexplored eukaryotic Hsp60 proteins. In this article we discuss these …

animal structuresBinding pocketCellAntineoplastic Agentschemical and pharmacologic phenomenaComputational biologyBiologyBioinformaticsFunctional domaincomplex mixturesChaperoninStructure-Activity RelationshipNeoplasmsHeat shock proteinDrug DiscoverymedicineHumansPharmacologyCompound dockingSettore BIO/16 - Anatomia UmanaCell growthfungiSettore CHIM/06 - Chimica OrganicaChaperonin 60Hsp60Settore CHIM/08 - Chimica FarmaceuticaCytoprotectionGroELmedicine.anatomical_structureSettore CHIM/03 - Chimica Generale E InorganicaCancer treatmentDrug DesignChaperone (protein)biology.proteinHSP60Protein foldingEpolactaeneCurrent Pharmaceutical Design
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Chaperonopathies and chaperonotherapy. Hsp60 as therapeutic target in cancer: potential benefits and risks.

2013

In this minireview we focus on Hsp60 as a target for anticancer therapy. We discuss the new concepts of chaperonopathies and chaperonotherapy and present information on Hsp60 localization in the cell membrane of human tumor cells. We describe novel mechanisms for Hsp60 reaching the extracellular environment that involve membrane-associated stages, as well as data on anti-Hsp60 antibodies found in human sera, both in normal subjects and patients affected by autoimmune diseases. Finally, we discuss possible therapeutic applications of anti-Hsp60 antibodies in cancer treatment, evaluating also side effects on non-tumor cells. In conclusion, the way for investigating Hsp60-targeted anti-tumor t…

animal structuresCellchemical and pharmacologic phenomenaAntineoplastic AgentsBiologycomplex mixturesRisk AssessmentCell membraneDrug Delivery SystemsRisk FactorsNeoplasmsDrug DiscoverymedicineExtracellularAnimalsHumansSecretionPharmacologyMechanism (biology)fungiCancerChaperonin 60medicine.diseasemedicine.anatomical_structureImmunologybiology.proteinCancer researchHsp60 Cpn60 HSPD1 plasma membrane antibodies autoantibodies antitumor immunotherapy anticancer therapy chaperonopathies human sera.HSP60AntibodyCurrent pharmaceutical design
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HPTLC fingerprinting—rapid method for the differentiation of honeys of different botanical origin based on the composition of the lipophilic fractions

2018

Bee honey possess various nutritional and medicinal functions, which are the result of its diverse chemical composition. The numerous bioactive compounds in honey come from flower nectar

animal structuresPharmaceutical ScienceDandelionfood quality01 natural sciencesArticlehoney fingerprintAnalytical Chemistrylcsh:QD241-441HPTLC0404 agricultural biotechnologylcsh:Organic chemistryDrug DiscoveryNectarSolid phase extractionPhysical and Theoretical ChemistryChemical compositionChromatography High Pressure LiquidChromatographyultrasound assisted extractionMilk ThistleChemistry010401 analytical chemistryOrganic ChemistryExtraction (chemistry)digestive oral and skin physiologyfungisolid phase extractionfood and beverages04 agricultural and veterinary sciencesHoney040401 food scienceThin-layer chromatography0104 chemical sciencesBlowing a raspberryhoney authenticationChemistry (miscellaneous)behavior and behavior mechanismsMolecular MedicineFood AnalysisMolecules
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New 1,2,4-oxadiazole nortopsentin derivatives with cytotoxic activity

2019

New analogs of nortopsentin, a natural 2,4-bis(3&prime

anti-cancer agentCell SurvivalAnti-cancer agentsPharmaceutical ScienceAntineoplastic AgentsAntiproliferative activity01 natural sciencesArticlechemistry.chemical_compoundStructure-Activity RelationshipMarine alkaloidsSettore BIO/10 - BiochimicaDrug DiscoveryMoietyHumansPharmacology Toxicology and Pharmaceutics (miscellaneous)lcsh:QH301-705.5Cell ProliferationIndole testMolecular Structure010405 organic chemistryAcridine orangeImidazoles2 4-oxadiazole derivativesnortopsentin analogs2 4-oxadiazole derivatives; Anti-cancer agents; Antiproliferative activity; Marine alkaloids; Nortopsentin analogs 1; Antineoplastic Agents; Caco-2 Cells; Cell Cycle Checkpoints; Cell Proliferation; Cell Survival; HCT116 Cells; Humans; Imidazoles; MCF-7 Cells; Molecular Structure; Structure-Activity RelationshipPhosphatidylserineCell Cycle CheckpointsNortopsentin analogs 1HCT116 CellsSettore CHIM/08 - Chimica Farmaceutica0104 chemical sciences124-oxadiazole derivative010404 medicinal & biomolecular chemistrychemistryBiochemistry124-oxadiazole derivativeslcsh:Biology (General)ApoptosisCell cultureCancer cellMCF-7 CellsMarine alkaloid2 4-oxadiazole derivativeCaco-2 CellsEthidium bromide
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A synthetic derivative of antimicrobial peptide holothuroidin 2 from mediterranean sea cucumber (Holothuria tubulosa) in the control of Listeria mono…

2019

Due to the limited number of available antibiotics, antimicrobial peptides (AMPs) are considered antimicrobial candidates to fight difficult-to-treat infections such as those associated with biofilms. Marine environments are precious sources of AMPs, as shown by the recent discovery of antibiofilm properties of Holothuroidin 2 (H2), an AMP produced by the Mediterranean sea cucumber Holothuria tubulosa. In this study, we considered the properties of a new H2 derivative, named H2d, and we tested it against seven strains of the dangerous foodborne pathogen Listeria monocytogenes. This peptide was more active than H2 in inhibiting the growth of planktonic L. monocytogenes and was able to interf…

antimicrobial peptideAntibioticsSettore BIO/05 - ZoologiaPharmaceutical SciencePeptideSettore BIO/19 - Microbiologia Generalemedicine.disease_cause01 natural sciencesFoodborne DiseasesDrug DiscoveryListeriosislcsh:QH301-705.5Pharmacology Toxicology and Pharmaceutics (miscellaneous)chemistry.chemical_classification0303 health sciencesbiologyBiofilmFoodborne pathogenAntimicrobialHolothuria tubulosaAnti-Bacterial AgentsSettore CHIM/03 - Chimica Generale E InorganicaAntimicrobial peptidesmedicine.drug_classAntimicrobial peptides-Microbial Sensitivity TestsMolecular Dynamics SimulationArticleMicrobiology03 medical and health sciencesListeria monocytogenesDrug Resistance BacterialmedicineMediterranean SeaAnimalsHolothuria<i>Holothuria tubulosa</i>Listeria monocytogene030304 developmental biology010405 organic chemistryHolothuria tubulosaBiofilmbiology.organism_classificationSettore CHIM/08 - Chimica FarmaceuticaListeria monocytogenesProtein tertiary structure0104 chemical sciencesProtein Structure TertiaryFoodborne pathogenslcsh:Biology (General)chemistryBiofilmsDrug Design<i>Listeria monocytogenes</i>Antimicrobial Cationic Peptides
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Nuevos fármacos inspirados en Annonáceas

2014

Los metabolitos secundarios activos (MSA) juegan un papel importante en el descubrimiento de nuevos medicamentos. Moléculas naturales con esqueletos complejos, tales como las estatinas aisladas de Aspergillus terreus, o las acetogeninas específicas de la familia Annonaceae, no hubieran podido ser inventadas en ningún laboratorio. Los MSA aislados en Annonaceae, especialmente las acetogeninas y los alcaloides isoquinoleínicos, pueden ser considerados como fuente constante de inspiración para químicos, farmacólogos y para todos los investigadores interesados en el descubrimiento de una nueva familia de medicamentos. Active secondary metabolites (ASM) play a highly significant role in the drug…

antimicrobiansStereochemistryAnnonaceaePlant Sciencelcsh:Plant cultureBiologyantimicrobianoschemistry.chemical_compoundacetogeninslcsh:SB1-1110Aspergillus terreusIsoquinolineacetogeninasantitumordopaminérgicosDrug discoverybiology.organism_classificationinsecticidaschemistryAnnonaceaeantitumoralesalcaloides isoquinoleínicosisoquinoline alkaloidsAgronomy and Crop ScienceinsecticidesdopaminergicsFood ScienceRevista Brasileira de Fruticultura
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Encapsulated Limonene: A Pleasant Lemon-Like Aroma with Promising Application in the Agri-Food Industry. A Review

2020

International audience; Limonene, mainly found as a major component in Citrus spp., has been proven to possess a valuable potential as sustainable replacement to synthetic pesticides and food preservatives. This review intends to give a clear overview of the principal emerging applications of limonene in the agri-food industry as antimicrobial, herbicidal and antioxidant agent. To successfully use limonene in a greener agri-food industry, its preservation had become a top concern for manufacturers. In order to elucidate the most efficient and sustainable manner to encapsulate limonene, the different techniques and materials tested up to the present are also reviewed. In general, encapsulati…

antioxidantFood industryPharmaceutical ScienceReview02 engineering and technologyAntioxidantsAnalytical ChemistryFoodborne Diseaseslcsh:QD241-441chemistry.chemical_compound0404 agricultural biotechnologyAnti-Infective Agentslcsh:Organic chemistrySustainable systemsDrug Discovery[CHIM]Chemical SciencesHumansPhysical and Theoretical ChemistryherbicidalAroma2. Zero hungerFood PreservativesLimonenebiologybusiness.industryOrganic Chemistry04 agricultural and veterinary sciences15. Life on land021001 nanoscience & nanotechnologybiology.organism_classification040401 food scienceMicrosphereschemistryChemistry (miscellaneous)Food productsFood PreservativesMolecular Medicinelimoneneantimicrobialencapsulationagri-food industryBiochemical engineering0210 nano-technologybusinessMolecules
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