Search results for " Biomolecular"

showing 10 items of 492 documents

The Diterpenoids of the Genus Marrubium (Lamiaceae)

2006

The occurrence and chemical structures of labdane diterpenoids from the genus Marrubium are reviewed and the published 13C NMR spectroscopic data for these compounds is presented. The pharmacological activities and biogenesis of these diterpenoids are also reported.

Pharmacologybiology010405 organic chemistryPlant ScienceGeneral Medicinebiology.organism_classification01 natural sciences0104 chemical sciencesLabdane010404 medicinal & biomolecular chemistrychemistry.chemical_compoundComplementary and alternative medicinechemistryGenusDrug DiscoveryBotanyLamiaceaeMarrubiumNatural Product Communications
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The Application of the Essential Oils of Thymus vulgaris L. and Crithmum maritimum L. as Biocidal on Two Tholu Bommalu Indian Leather Puppets

2021

The chemical profile of the Thymus vulgaris (Lamiaceae) essential oil (EO) was investigated in order to evaluate its biological properties against microorganisms affecting two Tholu Bommalu, typical Indian leather puppets stored at the International Puppets Museum “Antonio Pasqualino” of Palermo, Italy. A GC–MS analysis, using both polar and apolar columns, was used to determine the chemical composition of the essential oil. The aim of this study was to evaluate the antimicrobial effectiveness of the Thymus vulgaris and Crithmum maritimum essential oils in vapor phase to disinfect heritage leather puppets. Pieces of leather artifacts that were affected by different bacterial colonies were e…

BiocideMicroorganismThymus vulgarisPlant ScienceThymus vulgari01 natural sciencesArticleessential oillaw.inventionThymus vulgarisanti-bacterial activitylawCrithmum<i>Thymus vulgaris</i>Food scienceleather artifactsessential oilsEcology Evolution Behavior and SystematicsEssential oil<i>Crithmum maritimum</i>ApiaceaeEcologybiology010405 organic chemistryChemistrytechnology industry and agricultureBotanyCrithmum maritimumbiology.organism_classificationAntimicrobial0104 chemical sciences010404 medicinal & biomolecular chemistryleather artifactQK1-989LamiaceaePlants
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Preliminary study on analysis and removal of wax from a Carrara marble statue

2015

This preliminary study has mainly focused on the wax identification by nuclear magnetic resonance (NMR) and removal. Wax is used for many purposes in the field of art as protective coatings on wooden, stone or metal objects. From the comparison of the spectra H NMR and in particular with the correspondence of the resonance peaks of the samples taken from the statue and beeswax and paraffin, we can conclude that the wax applied on the statue surface is beeswax. From our data, it can be concluded that, to remove the beeswax, from any stone support, the more effective solvent is the mixture of cyclohexane/ethyl acetate. The removal percentages ranged from 19 to 99%. Lower percentages of remova…

WaxMagnetic Resonance SpectroscopyMaterials scienceEthyl acetateMineralogycleaningPlant ScienceAcetates01 natural sciencesBiochemistryBeeswaxSettore CHIM/12 - Chimica Dell'Ambiente E Dei Beni CulturaliCalcium CarbonateAnalytical Chemistrychemistry.chemical_compoundPlant scienceCyclohexanesPorosityWax010405 organic chemistryOrganic Chemistryfood and beveragescultural heritageNMR0104 chemical sciencesSolvent010404 medicinal & biomolecular chemistryCalcium carbonatechemistryParaffinWaxesvisual_artSolventsvisual_art.visual_art_mediumStatuePorosityArtNuclear chemistry
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Synthesis and Pharmacological Activities of Novel 3-(Isoxazol-3-yl)-quinazolin-4(3H)-one Derivatives

1999

Several new 3-(isoxazol-3-yl)-quinazolin-4(3H)-one derivatives were synthesized and tested for their analgesic and antiinflammatory activities, as well as for their acute toxicity and ulcerogenic effect. A few compounds were as active as phenylbutazone in the writhing and acetic acid peritonitis tests. They had a very low ulcerogenic effect.

MaleStereochemistryAnalgesicAnti-Inflammatory AgentsPharmaceutical ScienceChemical synthesisRats Sprague-DawleyMiceStructure-Activity Relationshipchemistry.chemical_compoundAcetic acidDrug DiscoveryPhenylbutazonemedicineAnimalsStomach UlcerNuclear Magnetic Resonance BiomolecularAnalgesicsBehavior AnimalBicyclic moleculeAcute toxicityRatschemistryToxicityQuinazolinesLactammedicine.drugArchiv der Pharmazie
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How To Design Selective Ligands for Highly Conserved Binding Sites: A Case Study Using N-Myristoyltransferases as a Model System

2019

A model system of two related enzymes with conserved binding sites, namely N-myristoyltransferase from two different organisms, was studied to decipher the driving forces that lead to selective inhibition in such cases. Using a combination of computational and experimental tools, two different selectivity-determining features were identified. For some ligands, a change in side-chain flexibility appears to be responsible for selective inhibition. Remarkably, this was observed for residues orienting their side chains away from the ligands. For other ligands, selectivity is caused by interfering with a water molecule that binds more strongly to the off-target than to the target. On the basis o…

chemistry.chemical_classification0303 health sciencesChemistryStereochemistryModel systemSelective inhibition01 natural sciences0104 chemical sciences010404 medicinal & biomolecular chemistry03 medical and health sciencesEnzymeDrug DiscoverySide chainMolecular MedicineTransferaseMoleculeBinding siteSelectivity030304 developmental biologyJournal of Medicinal Chemistry
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Brominated Azaphilones from the Sponge-Associated Fungus Penicillium canescens Strain 4.14.6a

2019

The fungus Penicillium canescens was isolated from the inner tissue of the Mediterranian sponge Agelas oroides. Fermentation of the fungus on solid rice medium yielded one new chlorinated diphenyl ether (1) and 13 known compounds (2-14). Addition of 5% NaBr to the rice medium increased the amounts of 4-6, while lowering the amounts of 8, 12, and 14. Furthermore, it induced the accumulation of 17 and two new brominated azaphilones, bromophilones A and B (15 and 16). Compounds 15 and 16 are the first example of azaphilones with the connection of a benzene moiety and the pyranoquinone core through a methylene group. The structures of the new compounds were elucidated based on the 1D and 2D NMR…

PharmacologyBicyclic molecule010405 organic chemistryStereochemistryOrganic ChemistryAbsolute configurationPharmaceutical ScienceEther01 natural sciences0104 chemical sciencesAnalytical Chemistry010404 medicinal & biomolecular chemistryPigmentchemistry.chemical_compoundComplementary and alternative medicinechemistryPenicillium canescensvisual_artDrug Discoveryvisual_art.visual_art_mediumMolecular MedicineMoietyFermentationMethyleneJournal of Natural Products
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Chemical Composition of the Essential Oil of Bupleurum Fontanesii (Apiaceae) Growing Wild in Sicily and its Activity on Microorganisms Affecting Hist…

2016

Hydrodistillation of the flowers (BpFl) of and fruits (BpFr) of Bupleurum fontanesii Guss. ex Caruel gave two oils that were analyzed by GC and GC-MS. The main components were α-elemol (16.7%), caryophyllene oxide (16.4%) and heptacosane (15.9%) in BpFl, and spathulenol (16.8%), caryophylladienol I (13.2%) and α-elemol (12.8%) in BpFr. A good antimicrobial activity against several microorganisms, including Bacillus subtilis, Staphylococcus aureus, Fusarium oxysporum and Aspergillus niger, all infesting historical art craft, was also determined.

α-ElemolBupleurumAntifungal AgentsMicroorganismPlant ScienceBacillus subtilis01 natural scienceslaw.inventionlawVolatile componentDrug DiscoveryBotanyFusarium oxysporumOils VolatilePlant OilsSicilyEssential oilPharmacologyApiaceaeBacteriaBupleurum fontanesiibiology010405 organic chemistryDrug Discovery3003 Pharmaceutical ScienceAspergillus nigerFungiSpathulenolfood and beveragesGeneral MedicineComplementary and Alternative Medicine2708 DermatologyAntimicrobialbiology.organism_classificationAnti-Bacterial AgentsBupleurum0104 chemical sciences010404 medicinal & biomolecular chemistryCaryophyllene oxideComplementary and alternative medicineArtApiaceaeNatural Product Communications
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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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Volatile constituents of Calamintha origanifolia boiss. Growing wild in Lebanon

2007

The essential oil of aerial parts of Calamintha origanifolia Boiss. (Lamiaceae), growing wild in Lebanon, was obtained by hydrodistillation and was analysed by GC and GC-MS. 49 compounds, representing 92.2% of the oil, were identified. The major components, belonging to the class of oxygenated monoterpenes, were pulegone (22.5%), isomenthone (12.2%) and piperitenone (9.6%). The oil showed a slight antimicrobial activity against three bacterial strains.

Pharmacology010404 medicinal & biomolecular chemistryComplementary and alternative medicine010405 organic chemistryDrug DiscoveryBotanyPlant ScienceGeneral MedicineBiologybiology.organism_classification01 natural sciencesCalamintha0104 chemical sciences
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Stereoselective Synthesis of (+)-11βH,13-Dihydroestafiatin, (+)-11βH,13-Dihydroludartin, (−)-Compressanolide, and (−)-11βH,13-Dihydromicheliolide fro…

2002

Starting from 2 and 3, obtained from santonin (1), we have synthesized natural guaianolides 4-7. Chemoselective epoxidation of 2 gave (+)-11betaH,13-dihydroestafiatin (4), and epoxidation of 3 followed by regioselective elimination of the hydroxyl group afforded (+)-11betaH,13-dihydroludartin (5). Sharpless' mild regioselective ring-opening of 4 and 5 followed by hydrogenolysis yielded (-)-compressanolide (6) and (-)-11betaH,13-dihydromicheliolide (7), respectively.

StereochemistryPharmaceutical ScienceChemical synthesisCatalysisAnalytical ChemistryLactoneschemistry.chemical_compoundHydrogenolysisDrug DiscoveryChemoselectivityNuclear Magnetic Resonance BiomolecularBond cleavageSantoninPharmacologychemistry.chemical_classificationMolecular StructureChemistryOrganic ChemistryRegioselectivityStereoisomerismComplementary and alternative medicineCyclizationMolecular MedicineStereoselectivitySantoninLactoneJournal of Natural Products
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