Search results for "binding"

showing 10 items of 3896 documents

Basal Endogenous Steroid Hormones, Sex Hormone-Binding Globulin, Physical Fitness, and Health Risk Factors in Young Adult Men.

2018

Purpose: Few large-scale population-based studies have adequately examined the relationships between steroid hormones, health status and physical fitness. The purpose of the study was to describe the relationship of serum basal endogenous steroid hormones (testosterone, TES; empirical free testosterone, EFT; cortisol, COR) and sex hormone-binding globulin (SHBG) to body composition, cardiovascular risk factors, and physical fitness in young healthy men. Methods: Male reservists (25 ± 4 years, N = 846) participated in the study. Basal TES, EFT, COR, and SHBG were measured in morning fasted blood. Stepwise regression analyses were used to examine associations between individual hormones to fo…

sukupuolihormonitPhysiologyfood and beveragescardiovascular healthliikuntacortisolwaist circumferencehormonitaerobic capacityfyysinen kuntoterveysvaikutuksettestosteronephysical fitnessmiehetaerobinen suorituskykysex hormone-binding globulintestosteronisteroiditterveysriskitfyysinen aktiivisuusOriginal ResearchFrontiers in physiology
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Generalized symmetries in nanostructure simulations

2009

symmetriaBloch's Theorematomic simulation environment (ASE)density-functional theory (DFT)simulation cellsimulointidensity-functional tight-binding (DFTB)nanotieteet
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Synthesis and Structure-Affinity Relationships of Spirocyclic Benzopyrans with Exocyclic Amino Moiety

2019

σ1 and/or σ2 receptors play a crucial role in pathological conditions such as pain, neurodegenerative disorders, and cancer. A set of spirocyclic cyclohexanes with diverse O-heterocycles and amino moieties (general structure III) was prepared and pharmacologically evaluated. In structure-activity relationships studies, the σ1 receptor affinity and σ1:σ2 selectivity were correlated with the stereochemistry, the kind and substitution pattern of the O-heterocycle, and the substituents at the exocyclic amino moiety. cis-configured 2-benzopyran cis-11b bearing a methoxy group and a tertiary cyclohexylmethylamino moiety showed the highest σ1 affinity ( Ki = 1.9 nM) of this series of compounds. In…

synthesisexocyclic amino moietyReceptors Opioid mudocking studieCrystallography X-RayLigands01 natural sciencesopioid receptorschemistry.chemical_compoundProtein structureDrug DiscoveryMoiety0303 health sciencesσ1 receptor ligandsstructure (σ1) affinity relationshipmolecular dynamicBenzyl groupMolecular MedicinesynthesiBenzopyransSelectivityHydrophobic and Hydrophilic Interactionsfree binding enthalpyStereochemistrychange of receptor profileMolecular Dynamics Simulation03 medical and health sciencesStructure-Activity Relationshipσ1 receptor ligands; spirocyclic compounds; benzopyrans; benzofurans; exocyclic amino moiety; synthesis; structure (σ1) affinity relationships; σ1 antagonistic activity; receptor selectivity; molecular dynamics; docking studies; free binding enthalpy; X-ray crystal structure; opioid receptors; MOR affinity; change of receptor profile; structure MOR affinity relationshipsstructure (σ1) affinity relationshipsStructure–activity relationshipHumansReceptors sigmaBenzopyransSpiro Compoundsspirocyclic compoundBinding siteMOR affinity030304 developmental biologybenzopyranbenzofuransσ1 receptor ligandBinding Sitesspirocyclic compoundsreceptor selectivitystructure MOR affinity relationshipsdocking studiesbenzofuranopioid receptorX-ray crystal structuremolecular dynamics0104 chemical sciencesProtein Structure Tertiary010404 medicinal & biomolecular chemistrychemistrySalt bridgeσ1 antagonistic activity
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Eukaryotic rRNA Modification by Yeast 5-Methylcytosine-Methyltransferases and Human Proliferation-Associated Antigen p120.

2015

International audience; Modified nucleotide 5-methylcytosine (m(5)C) is frequently present in various eukaryotic RNAs, including tRNAs, rRNAs and in other non-coding RNAs, as well as in mRNAs. RNA: m(5)C-methyltranferases (MTases) Nop2 from S. cerevisiae and human proliferation-associated nucleolar antigen p120 are both members of a protein family called Nop2/NSUN/NOL1. Protein p120 is well-known as a tumor marker which is over-expressed in various cancer tissues. Using a combination of RNA bisulfite sequencing and HPLC-MS/MS analysis, we demonstrated here that p120 displays an RNA:m(5)C-MTase activity, which restores m(5)C formation at position 2870 in domain V of 25S rRNA in a nop2 Delta …

tRNA MethyltransferasesSaccharomyces cerevisiae Proteinslcsh:RNuclear Proteinslcsh:MedicineMethyltransferasesSaccharomyces cerevisiaeProtein Structure TertiaryRNA Ribosomal5-MethylcytosineHumans[SDV.BBM]Life Sciences [q-bio]/Biochemistry Molecular Biologylcsh:Qlcsh:Science[SDV.MHEP]Life Sciences [q-bio]/Human health and pathologyProtein BindingResearch ArticlePLoS ONE
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Force Distribution Analysis of Mechanochemically Reactive Dimethylcyclobutene

2013

Internal molecular forces can guide chemical reactions, yet are not straightforwardly accessible within a quantum mechanical description of the reacting molecules. Here, we present a force-matching force distribution analysis (FM-FDA) to analyze internal forces in molecules. We simulated the ring opening of trans-3,4-dimethylcyclobutene (tDCB) with on-the-fly semiempirical molecular dynamics. The self-consistent density functional tight binding (SCC-DFTB) method accurately described the force-dependent ring-opening kinetics of tDCB, showing quantitative agreement with both experimental and computational data at higher levels. Mechanical force was applied in two different ways, namely, exter…

ta114CyclobuteneChemistryMolecular ConformationMolecular Dynamics SimulationRing (chemistry)Atomic and Molecular Physics and Optics:Science::Biological sciences::Biophysics [DRNTU]chemistry.chemical_compoundMolecular dynamicsAccelerationTight bindingIsomerismComputational chemistryChemical physicsMechanochemistryQuantum TheoryMoleculeReactivity (chemistry)Physical and Theoretical Chemistryta116CyclobutanesChemPhysChem
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Role of odorant-binding proteins in Drosophila melanogaster chemosensory perception

2019

Chemoperception is used by animals to detect nutritive food and avoid toxic compounds. It also allows animals to identify suitable ecological niche and mating partners. Like many other insects, Drosophila melanogaster possesses a very sensitive chemosensory ability and can detect and discriminate a wide panel of semiochemicals. Chemosensory detection is mostly mediated by olfactory and gustatory systems involving several multigene chemoreceptor families. Volatile and non-volatile chemical compounds entering the sensory organ (sensillum) must be solubilized before being transported through the hydrophilic sensillum lymph bathing the dendrites of chemosensory neurons. These perireceptor event…

tastechemoperception[SDV.BBM] Life Sciences [q-bio]/Biochemistry Molecular Biologyperireceptor eventsgoût[SDV.BBM]Life Sciences [q-bio]/Biochemistry Molecular Biologyodorant-binding proteinschimioperceptionévénement périrecepteurdrosophilaprotéines de liaison aux odorantsolfaction
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EFFECTS OF THYROID HORMONES ON TWO PUTATIVE RNA-BINDING PROTEINS EXPRESSED IN DEVELOPING RAT BRAIN.

2005

thyroid hormones rat brain RNA-binding proteins
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Effect of ligand-binding on protein function

2014

tietokonesimulointifilamiinitliganditsitoutuminenionotrooppiset glutamaattireseptoritfilaminpeptidiliganditmolecular dynamicsionotropic glutamate receptorlääkesuunnitteluFLNaiGluRlaskennallinen tiedelaskennalliset menetelmätmolekyylidynamiikkaTCPTPsimulointiproteiinitbinding free energyT-cell protein tyrosine phosphatase
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Rational drug discovery : structural studies of protein-ligand complexes

2011

vaskulaarinen adheesioproteiini 1rational drug discoveryrationaalinen lääkeainesuunnitteluVAP-1hydrazinefilamiinitfilaminvascular adhesion protein 1ligandinsitomistaskutmolecular dynamicsligand binding pocketshydratsiinimolekyylidynamiikkaTCPTPCFTR
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CYGD: the Comprehensive Yeast Genome Database.

2005

The comprehensive resource is available under http://mips.gsf.de/genre/proj/yeast/.; International audience; The Comprehensive Yeast Genome Database (CYGD) compiles a comprehensive data resource for information on the cellular functions of the yeast Saccharomyces cerevisiae and related species, chosen as the best understood model organism for eukaryotes. The database serves as a common resource generated by a European consortium, going beyond the provision of sequence information and functional annotations on individual genes and proteins. In addition, it provides information on the physical and functional interactions among proteins as well as other genetic elements. These cellular network…

ved/biology.organism_classification_rank.speciesSACCHAROMYCES CEREVISIAE GENOME;COMPREHENSIVE YEAST GENOME DATABASE;CYGD;PROTEIN INTERACTION;EUROPEAN CONSORTIUM;SEQUENCE INFORMATION;YEAST GENOME;SEQUENCED EUKARYOTIC GENOMEcomputer.software_genreGenomeSaccharomycesUser-Computer InterfaceSequence Analysis ProteinDatabases GeneticYEAST GENOME[INFO.INFO-BI] Computer Science [cs]/Bioinformatics [q-bio.QM]0303 health sciences[SDV.BIBS] Life Sciences [q-bio]/Quantitative Methods [q-bio.QM]biologyDatabase030302 biochemistry & molecular biologyEUROPEAN CONSORTIUMArticlesGenomicsCYGD[SDV.BIBS]Life Sciences [q-bio]/Quantitative Methods [q-bio.QM]PROTEIN INTERACTIONSEQUENCED EUKARYOTIC GENOMEnucleic acidsCOMPREHENSIVE YEAST GENOME DATABASEBio-informatiqueGenome FungalSEQUENCE INFORMATIONSaccharomyces cerevisiae ProteinsBioinformaticsSaccharomyces cerevisiae610Saccharomyces cerevisiaeGenètica molecularSACCHAROMYCES CEREVISIAE GENOMESaccharomyces03 medical and health sciencesAnnotationGeneticsSIMAPModel organismGene030304 developmental biologyBinding Sitesved/biologyMembrane ProteinsMembrane Transport Proteinsbiology.organism_classificationYeast[INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM]computerSDV:BIBSTranscription Factors
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