Search results for "Zole"

showing 10 items of 2482 documents

HSV-1 Glycoprotein D and Its Surface Receptors: Evaluation of Protein–Protein Interaction and Targeting by Triazole-Based Compounds through In Silico…

2023

Protein–protein interactions (PPI) represent attractive targets for drug design. Thus, aiming at a deeper insight into the HSV-1 envelope glycoprotein D (gD), protein–protein docking and dynamic simulations of gD-HVEM and gD-Nectin-1 complexes were performed. The most stable complexes and the pivotal key residues useful for gD to anchor human receptors were identified and used as starting points for a structure-based virtual screening on a library of both synthetic and designed 1,2,3-triazole-based compounds. Their binding properties versus gD interface with HVEM and Nectin-1 along with their structure-activity relationships (SARs) were evaluated. Four [1,2,3]triazolo[4,5-b]pyridines were i…

glycoprotein DOrganic Chemistrymolecular dynamics simulationsGeneral MedicineHSV-1Settore CHIM/08 - Chimica FarmaceuticaCatalysisComputer Science ApplicationsInorganic Chemistryprotein–protein interactionprotein–protein interaction; HSV-1; 123-triazoles; docking; molecular dynamics simulations; glycoprotein Ddocking123-triazolesPhysical and Theoretical ChemistryMolecular BiologySpectroscopyInternational Journal of Molecular Sciences
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Gamma-Ray-Induced Structural Transformation of GQDs towards the Improvement of Their Optical Properties, Monitoring of Selected Toxic Compounds, and …

2022

Structural modification of different carbon-based nanomaterials is often necessary to improve their morphology and optical properties, particularly the incorporation of N-atoms in graphene quantum dots (GQDs). Here, a clean, simple, one-step, and eco-friendly method for N-doping of GQDs using gamma irradiation is reported. GQDs were irradiated in the presence of the different ethylenediamine (EDA) amounts (1 g, 5 g, and 10 g) and the highest % of N was detected in the presence of 10 g. N-doped GQDs emitted strong, blue photoluminescence (PL). Photoluminescence quantum yield was increased from 1.45, as obtained for non-irradiated dots, to 7.24% for those irradiated in the presence of 1 g of …

graphene quantum dots3-amino-124-triazolegamma-irradiationGeneral Chemical Engineeringgraphene quantum dots; N-doping; gamma-irradiation; photoluminescence; carbofuran; 3-amino-124-triazole; detection; antibacterial effectsdetectionGeneral Materials Sciencephotoluminescenceantibacterial effectsSettore CHIM/02 - Chimica FisicaN-dopingcarbofuranNanomaterials (Basel, Switzerland)
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Grazoprevir/elbasvir for the immediate treatment of recently acquired HCV genotype 1 or 4 infection in MSM.

2020

Abstract Background In Europe, increases in HCV infection have been observed over the last two decades in MSM, making them a key population for recently acquired HCV. Alternative combinations of direct-acting antiviral agents against early HCV infection need to be assessed. Patients and methods In this pilot trial, MSM with recently acquired genotype 1 or 4 HCV infection were prospectively included and received 8 weeks of oral grazoprevir 100 mg and elbasvir 50 mg in a fixed-dose combination administered once daily. The primary endpoint was sustained virological response evaluated 12 weeks after the end of treatment (EOT) (SVR12). Secondary endpoints were the virological characterization of…

hepatitis C virusCyclopropanesMaleadverse eventmen who have sex with menHepacivirusmedicine.disease_causeSexual and Gender Minoritiesblood HIV RNA0302 clinical medicine[SDV.MHEP.MI]Life Sciences [q-bio]/Human health and pathology/Infectious diseasesfollow-upClinical endpointMedicinePharmacology (medical)infections030212 general & internal medicinehepatitis ceducation.field_of_studySulfonamideshepatitis c rnaImidazolesvirus diseasesHepatitis Cvirologyhepatitis C virus genotype 13. Good healthEuropeInfectious DiseasesGrazoprevirRNA Viral030211 gastroenterology & hepatologyDrug Therapy CombinationMicrobiology (medical)medicine.medical_specialtyElbasvirGenotypeHepatitis C virusPopulationelbasvirAntiviral Agentsreinfection03 medical and health sciencesInternal medicineQuinoxalinesHumansHomosexuality MaleAdverse effecteducationplasmasuicideBenzofuransPharmacologybusiness.industrySurrogate endpointHIVgrazoprevirHepatitis C Chronicmedicine.diseaseAmidessurrogate endpoints[SDV.SP.PHARMA]Life Sciences [q-bio]/Pharmaceutical sciences/PharmacologyQuality of LifeCarbamatesbusinessThe Journal of antimicrobial chemotherapy
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Rearrangements of 1,2,4-Oxadiazole: “One Ring to Rule Them All”

2017

[Figure not available: see fulltext.] 1,2,4-Oxadiazoles are heterocycles characterized by low aromaticity and the presence of a weak O–N bond and are widely studied due to their tendency to rearrange into more stable heterocyclic compounds. This review covers literature from the last fifteen years, highlighting the general features of 1,2,4-oxadiazoles and their applications. Regarding the reactivity, the development of classical reactions (thermal and photochemical rearrangements) is presented in terms of synthetic utility and mechanistic insight. Among the relevant rearrangement reactions, the Boulton–Katritzky Rearrangement (BKR), Migration – Nucleophilic Attack – Cyclization (MN…

heterocyclic rearrangementphotochemistry010405 organic chemistryOrganic Chemistry124-oxadiazoleOxadiazoleBoulton–Katritzky rearrangementAromaticitySettore CHIM/06 - Chimica Organica010402 general chemistryRing (chemistry)01 natural sciences0104 chemical scienceschemistry.chemical_compoundNucleophilechemistryComputational chemistryANRORCReactivity (chemistry)Chemistry of Heterocyclic Compounds
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CCDC 214223: Experimental Crystal Structure Determination

2003

Related Article: J.Kusz, H.Spiering, P.Gutlich|2001|J.Appl.Crystallogr.|34|229|doi:10.1107/S0021889801000462

hexakis(1-Methyltetrazole)-iron(ii) bis(tetrafluoroborate)Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 214224: Experimental Crystal Structure Determination

2003

Related Article: J.Kusz, H.Spiering, P.Gutlich|2001|J.Appl.Crystallogr.|34|229|doi:10.1107/S0021889801000462

hexakis(1-Methyltetrazole)-iron(ii) bis(tetrafluoroborate)Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 214222: Experimental Crystal Structure Determination

2003

Related Article: J.Kusz, H.Spiering, P.Gutlich|2001|J.Appl.Crystallogr.|34|229|doi:10.1107/S0021889801000462

hexakis(1-Methyltetrazole)-iron(ii) bis(tetrafluoroborate)Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 251390: Experimental Crystal Structure Determination

2004

Related Article: J.Kusz, H.Spiering, P.Gutlich|2004|J.Appl.Crystallogr.|37|589|doi:10.1107/S0021889804011720

hexakis(1-Propyltetrazole-N^4^)-zinc(ii) bis(tetrafluoroborate)Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 251393: Experimental Crystal Structure Determination

2004

Related Article: J.Kusz, H.Spiering, P.Gutlich|2004|J.Appl.Crystallogr.|37|589|doi:10.1107/S0021889804011720

hexakis(1-Propyltetrazole-N^4^)-zinc(ii) bis(tetrafluoroborate)Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 251394: Experimental Crystal Structure Determination

2004

Related Article: J.Kusz, H.Spiering, P.Gutlich|2004|J.Appl.Crystallogr.|37|589|doi:10.1107/S0021889804011720

hexakis(1-Propyltetrazole-N^4^)-zinc(ii) bis(tetrafluoroborate)Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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