Search results for "stereo"

showing 10 items of 6147 documents

Synthesis, Properties and Antimicrobial Activity of 5-Trifluoromethyl-2-formylphenylboronic Acid

2020

2-Formylphenylboronic acids display many interesting features, not only from synthetic but also from an application as well as structural points of view. 5-Trifluoromethyl-2-formyl phenylboronic acid has been synthesized and characterized in terms of its structure and properties. The presence of an electron-withdrawing substituent results in a considerable rise in the acidity in comparison with its analogues. In some solutions, the title compound isomerizes with formation of the corresponding 3-hydroxybenzoxaborole. Taking into account the probable mechanism of antifungal action of benzoxaboroles, which blocks the cytoplasmic leucyl-tRNA synthetase (LeuRS) of the microorganism, docking stud…

Antifungal AgentstrifluoromethylStereochemistryphenylboronicBacillus cereusAntifungal drugbenzoxaborolePharmaceutical ScienceMicrobial Sensitivity Tests010402 general chemistry01 natural sciencesequilibriumArticleAnalytical Chemistrycrystallcsh:QD241-441chemistry.chemical_compoundTavaborolelcsh:Organic chemistryCandida albicansDrug DiscoveryEscherichia colimedicineformylPhysical and Theoretical ChemistryPhenylboronic acidCandida albicansacidityTrifluoromethylKerydinbiology010405 organic chemistryChemistryOrganic ChemistryActive sitebiology.organism_classificationBoronic AcidsAnti-Bacterial Agents0104 chemical sciencesMechanism of actionChemistry (miscellaneous)Docking (molecular)Benzaldehydesdockingbiology.proteinMolecular MedicineantimicrobialLeucine-tRNA Ligasemedicine.symptomMolecules
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Synthesis and antifungal activity of new N-(1-phenyl-4-carbetoxypyrazol-5-yl)-, N-(indazol-3-yl)- and N-(indazol-5-yl)-2-iodobenzamides

2002

N-(1-Phenyl-4-carbetoxypyrazol-5-yl)-, N-(indazol-3-yl)- and N-(indazol-5-yl)-2-iodobenzamides 6, with a Benodanil-like structure, were synthesized by refluxing in acetic acid the corresponding benzotriazinones 5 with potassium iodide for 1 h in order to study the role on the antifungal activity of the N-substitution with an aromatic heterocyclic system on benzamide moiety. Among the tested iododerivatives, compounds 6d,f,g,h possess interesting activities toward some phytopathogenic fungal strains.

AntifungalAntifungal AgentsIndazolesMagnetic Resonance SpectroscopySpectrophotometry Infraredmedicine.drug_classStereochemistryColony Count MicrobialPharmaceutical Sciencechemistry.chemical_elementCarboxamideMicrobial Sensitivity TestsIodineChemical synthesisAcetic acidchemistry.chemical_compoundN-(1-phenyl-4-carbetoxypyrazol-5-yl)-2-iodobenzamides N-(indazol-3-yl)-2-iodobenzamides N-(indazol-3-yl)-2-iodobenzamides antifungal activityDrug DiscoverymedicineMoietyBenzamideChemistryFungiSettore CHIM/08 - Chimica FarmaceuticaBenzamidesPyrazolesIl Farmaco
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Chemical and antifungal investigations of six Lippia species (Verbenaceae) from Brazil

2012

Made available in DSpace on 2013-09-27T14:52:47Z (GMT). No. of bitstreams: 1 WOS000310396700165.pdf: 536437 bytes, checksum: d267984ddfcb57d1406b069856adcc25 (MD5) Previous issue date: 2012-12-01 Made available in DSpace on 2013-09-30T19:10:31Z (GMT). No. of bitstreams: 1 WOS000310396700165.pdf: 536437 bytes, checksum: d267984ddfcb57d1406b069856adcc25 (MD5) Previous issue date: 2012-12-01 Submitted by Vitor Silverio Rodrigues (vitorsrodrigues@reitoria.unesp.br) on 2014-05-20T14:20:39Z No. of bitstreams: 1 WOS000310396700165.pdf: 536437 bytes, checksum: d267984ddfcb57d1406b069856adcc25 (MD5) Made available in DSpace on 2014-05-20T14:20:39Z (GMT). No. of bitstreams: 1 WOS000310396700165.pdf: …

AntifungalAntifungal AgentsIridoidStereochemistrymedicine.drug_classPharmaceutical ScienceMicrobial Sensitivity TestsCandida parapsilosisAntifungalAnalytical Chemistrychemistry.chemical_compoundVerbascosideCandida kruseiBotanyVerbenaceaeDrug DiscoverymedicineCandida albicansCandida spp.Cryptococcus neoformansPharmacologyLippiaTraditional medicinebiologyPlant ExtractsChemistryVerbenaceaeOrganic ChemistryFungiGeneral MedicineDereplicationbiology.organism_classificationComplementary and alternative medicineCryptococcus neoformansMolecular MedicineLippiaLippia sppBrazilFood SciencePlanta Medica
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Studies on puupehenone-metabolites of a Dysidea sp.: structure and biological activity

2007

[EN] Puupchenone (1) and a series of its congeners (2-6) have been isolated from a Dysidea sponge. The unprecedented 20-acetoxyhater-unnadienone (2) exhibiting a five-membered contracted ring, has been characterized. In addition, stereochemical assignment of two previously reported acetone adducts of puupehenone (5 and 6) has been made. Finally, the inhibition of mitochondrial respiratory chain as well as antibacterial and antifungal activities of all compounds has been evaluated. (c) 2006 Elsevier Ltd. All rights reserved.

AntifungalMitochondrial respiratory chainbiologyMarine metabolitesmedicine.drug_classStereochemistryChemistryPuupehenoneOrganic ChemistryBiological activitySponges; Marine metabolites; Sesquiterpene-quinones; Antifungal; Antibacterial; Mitochondrial respiratory chain.biology.organism_classificationAntifungalBiochemistryAdductAntibacterialSpongeMitochondrial respiratory chainSpongesDrug DiscoverymedicineSesquiterpene-quinonesBIOQUIMICA Y BIOLOGIA MOLECULARTetrahedron
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Application of molecular topology to the prediction of antifungal activity for a set of dication-substituted carbazoles, furans and benzimidazoles

2003

In this paper, the endpoint is the application of molecular topology to the search of QSAR relations into a group of dicationsubstituted carbazoles, furans and benzimidazoles, all showing antifungal activity against C. albicans. Mathematical and statistical methods such as linear regression and discriminant analysis, are used to goal. The obtained results clearly show a high efficiency of the formalism on the prediction and classification of antifungal activity. 83% of the compounds showing MIC , 10 mg/ml (active group) are correctly classified, whilst 100% overall accuracy is achieved for those compounds showing MIC . 100 mg/ml (inactive group). q 2003 Elsevier Science B.V. All rights rese…

AntifungalQuantitative structure–activity relationshipmedicine.drug_classStereochemistryChemistryCondensed Matter PhysicsLinear discriminant analysisBiochemistryDicationFormalism (philosophy of mathematics)Linear regressionmedicinePhysical and Theoretical ChemistryMolecular topologyActive groupJournal of Molecular Structure: THEOCHEM
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Folate-targeted supramolecular vesicular aggregates as a new frontier for effective anticancer treatment in in vivo model.

2012

Abstract Supramolecular vesicular aggregates (SVAs), made up by self-assembling liposomes and polyasparthydrazide co-polymers conjugated to folic acid molecules were extensively investigated in this manuscript as potential active targeting formulation for anticancer drug delivery. Folate-targeted systems (FT-SVAs) were used to treat breast cancer and to further proof the potential in vivo administration of these systems for the therapeutic treatment for several aggressive solid tumors. The physicochemical and technological parameters of FT-SVAs are suitable for their potential in vivo administration. The chemotherapeutic activity of GEM-loaded FT-SVAs was increased during in vivo experiment…

Antimetabolites AntineoplasticStereochemistryPharmaceutical ScienceBreast NeoplasmsMice SCIDDeoxycytidinechemistry.chemical_compoundMiceBreast cancerDrug Delivery SystemsFolic AcidPharmacokineticsIn vivoMice Inbred NODPEG ratiomedicineAnimalsHumansLiposomeDrug CarriersGeneral Medicinemedicine.diseaseXenograft Model Antitumor AssaysGemcitabineGemcitabinePLGANylonsHydrazineschemistryDrug deliveryLiposomesCancer researchMCF-7 CellsFemaleFolate supramolecular vescicular aggregates anticancer treatmentBiotechnologymedicine.drugEuropean journal of pharmaceutics and biopharmaceutics : official journal of Arbeitsgemeinschaft fur Pharmazeutische Verfahrenstechnik e.V
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Folate-mediated targeting of polymeric conjugates of gemcitabine.

2005

The synthesis of two new macromolecular prodrugs for active tumor targeting was set up. Gemcitabine (2'-deoxy-2',2'-difluorocytidine) was conjugated to alpha,beta-poly(N-2-hydroxyethyl)-DL-aspartamide (PHEA) through succinyl or diglycolyl hydrolysable spacers. The targeting agent folic acid was attached to the macromolecular backbone through the aminocaproic spacer. The two conjugates [PHEA-(5'-succinylgemcitabine)-1'-carboxypentyl-folamide and PHEA-(5'-diglycolyl-gemcitabine)-1'-carboxypentyl-folamide], were purified and extensively characterised by spectroscopic (UV, IR and NMR) and chromatographic analyses to determine the correct chemical structure, the purity degree and the reaction yi…

Antimetabolites AntineoplasticTime FactorsStereochemistryCell SurvivalpolyaspartamideChemical structurePharmaceutical ScienceReceptors Cell SurfaceConjugated systemDeoxycytidineDrug Delivery SystemsFolic AcidCell Line Tumorfolate-mediated targetingExtracellularHumansProdrugsIncubationPolyhydroxyethyl MethacrylateDrug CarriersDose-Response Relationship DrugChemistrypolymeric conjugateFolate Receptors GPI-AnchoredSuccinatesHydrogen-Ion ConcentrationGemcitabineIn vitroBiochemistryCell cultureCarrier ProteinsMacromoleculeConjugateInternational journal of pharmaceutics
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Structure of chloroantimonates(III) with an imidazolium cation: (C3H5N2)[SbCl4] and (C3H5N2)2[SbCl5]

2003

Abstract Two different chloroantimonates(III) with an imidazolium cation have been synthesized by the reaction of antimony trichloride and imidazole in an aqueous solution of hydrochloric acid. The crystals of (C3H5N2)[SbCl4] are monoclinic, space group C2/c, while (C3H5N2)2[SbCl5] crystallizes in the orthorhombic system, space group Pbcn. Both crystals are built of one dimensional zig-zag chains composed of [SbCl6]3− octahedra connected by edges and corners, respectively. The cavities between inorganic chains are filled by imidazolium cations. In both structures, one crystallographically independent imidazolium cation is rotationally disordered, and the positions of all atoms are split bet…

Antimony trichlorideHydrogen bondStereochemistryOrganic ChemistryIntermolecular forcedisorderAnalytical ChemistryInorganic ChemistryBond lengthCrystallographychemistry.chemical_compoundchloroantimonates(III)chemistryOctahedronoctahedral deformationhydrogen bondsImidazoleOrthorhombic crystal systemimidazolium cationSpectroscopyMonoclinic crystal systemJournal of Molecular Structure
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Crystal and Molecular Structure of 1,2,4-Triazolium Chloride and its Salt with Antimony Trichloride - Bis(1,2,4-triazolium) pentachloroantimonate(III…

2002

The structures of 1,2,4-triazolium chloride (C2H4N3)Cl and its derivative with antimony trichloride - (C2H4N3)2[SbCl5] · (C2H4N3)Cl containing unsubstituted 1,2,4-triazolium cations were determined. (C2H4N3)Cl crystallizes in the monoclinic system, space group P21/n with the unit cell dimensions at 86 K: a = 9.425(2), b = 8.557(2), c = 11.158(2)Å , β = 95.87(3)°; V = 895.2(3)Å3, Z=8, dc = 1.566, dm = 1.56(2) g·cm-3.At roomtemperature, crystals of (C2H4N3)2- [SbCl5] · (C2H4N3)Cl are orthorhombic, space group P212121, a = 8.318(2), b = 11.381(2), c = 19.931(4) Å, V = 1886.8(7) Å3, Z = 4, dc = 1.917, dm = 1.91(2) g·cm-3. In both crystals the 1,2,4-triazole rings are planar. The anionic sublatt…

Antimony trichlorideStereochemistryHydrogen bondGeneral ChemistryChlorideBond lengthCrystallographychemistry.chemical_compoundOctahedronchemistrymedicineMoleculeOrthorhombic crystal systemMonoclinic crystal systemmedicine.drugZeitschrift für Naturforschung B
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Synthesis and structure of tetrakis(tetramethylammonium) octacosachlorooctaantimonate(III) [(CH3)4N]4Sb8Cl28

2000

Abstract The reaction between antimony trichloride and tetramethylammonium chloride in nitromethane gives transparent, irregular crystals of tetrakis(tetramethylammonium) octacosachlorooctaantimonate(III) [(CH 3 ) 4 N] 4 Sb 8 Cl 28 . Crystals are triclinic, space group P-1, a =11.846(2), b =12.217(2), c=14.120(3) A , α =95.71(3), β =101.39(3), γ =118.59(3)°, V=1713.7(5) A 3 , Z =1, d c =2.193, d m =2.17(2) Mg m −3 . The structure contains a structurally novel Sb 8 Cl 28 4- anion. It is composed of eight deformed octahedra, connected with each other by faces. In cavities formed by inorganic sublattice are located two crystallographically nonequivalent tetramethylammonium cations. One of them…

Antimony trichlorideTetramethylammoniumNitromethaneStereochemistryOrganic ChemistrydisorderTriclinic crystal systemAnalytical ChemistryIonInorganic ChemistryCrystallographychemistry.chemical_compoundchloroantimonates(III)chemistryOctahedronGroup (periodic table)Tetramethylammonium chloridecrystal and molecular structureSpectroscopyJournal of Molecular Structure
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