R. > Models, Binding

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1Combining selectivity and affinity predictions using an integrated Support Vector Machine (SVM) approach: An alternative tool to discriminate between the human adenosine A(2A) and A(3) receptor pyrazolo-triazolo-pyrimidine antagonists binding sites
L. Michielan, C. Bolcato, S. Federico, B. Cacciari, M. Bacilieri, K. Klotz, S. Kachler, G. Pastorin, R. Cardin, A. Sperduti and 2 other author(s). Bioorg Med Chem, 17 (14): 5259-74 (July 2009)Michielan, Lisa Bolcato, Chiara Federico, Stephanie Cacciari, Barbara Bacilieri, Magdalena Klotz, Karl-Norbert Kachler, Sonja Pastorin, Giorgia Cardin, Riccardo Sperduti, Alessandro Spalluto, Giampiero Moro, Stefano Research Support, Non-U.S. Gov't England Bioorganic & medicinal chemistry Bioorg Med Chem. 2009 Jul 15;17(14):5259-74. Epub 2009 May 21..
15 years ago by @pharmawuerz
show all tags
Binding
&
Sites
A3/*antagonists
Pyrazoles/chemical
Protein
Chemical
Receptor
A2A/*antagonists
inhibitors/chemistry/*metabolism
Discovery
Relationship
Models,
Structure-Activity
Adenosine
Static
Intelligence
Humans
Triazoles/chemical
Electricity
Pyrimidines/chemical
synthesis/*chemistry/*pharmacology
synthesis/chemistry/pharmacology
*Artificial
Drug
Binding&SitesA3/*antagonistsPyrazoles/chemicalProteinChemicalReceptorA2A/*antagonistsinhibitors/chemistry/*metabolismDiscoveryRelationshipModels,Structure-ActivityAdenosineStaticIntelligenceHumansTriazoles/chemicalElectricityPyrimidines/chemicalsynthesis/*chemistry/*pharmacologysynthesis/chemistry/pharmacology*ArtificialDrug
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1Phosducin-like protein regulates G-protein betagamma folding by interaction with tailless complex polypeptide-1alpha: dephosphorylation or splicing of PhLP turns the switch toward regulation of Gbetagamma folding
J. Humrich, C. Bermel, M. Bunemann, L. Harmark, R. Frost, U. Quitterer, and M. Lohse. J Biol Chem, 280 (20): 20042-50 (May 2005)Humrich, Jan Bermel, Christina Bunemann, Moritz Harmark, Linda Frost, Robert Quitterer, Ursula Lohse, Martin J In Vitro United States The Journal of biological chemistry J Biol Chem. 2005 May 20;280(20):20042-50. Epub 2005 Mar 2..
15 years ago by @pharmawuerz
show all tags
RNA,
Binding
Small
Interference
II/genetics/metabolism
Data
Biological
Sequence
Multiprotein
Complexes
Chaperonins/*chemistry/genetics/*metabolism
Base
Protein
DNA,
Kinase
Proteins/chemistry/genetics/metabolism
Line
Models,
gamma
Interfering/genetics
Chaperonin
beta
Complementary/genetics
Acid
RNA
Humans
Proteins/chemistry/genetics/*metabolism
Subunits/*chemistry/genetics/*metabolism
Tissue
Molecular
Nerve
Carrier
Casein
Homology,
Containing
Subunits
GTP-Binding
Amino
TCP-1
Recombinant
Cell
Isoforms/chemistry/genetics/metabolism
Folding
RNA,BindingSmallInterferenceII/genetics/metabolismDataBiologicalSequenceMultiproteinComplexesChaperonins/*chemistry/genetics/*metabolismBaseProteinDNA,KinaseProteins/chemistry/genetics/metabolismLineModels,gammaInterfering/geneticsChaperoninbetaComplementary/geneticsAcidRNAHumansProteins/chemistry/genetics/*metabolismSubunits/*chemistry/genetics/*metabolismTissueMolecularNerveCarrierCaseinHomology,ContainingSubunitsGTP-BindingAminoTCP-1RecombinantCellIsoforms/chemistry/genetics/metabolismFolding
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1Adenosine A2A receptor antagonists: new 8-substituted 9-ethyladenines as tools for in vivo rat models of Parkinson's disease
R. Volpini, D. Ben, C. Lambertucci, G. Marucci, R. Mishra, A. Ramadori, K. Klotz, M. Trincavelli, C. Martini, and G. Cristalli. ChemMedChem, 4 (6): 1010-9 (June 2009)Volpini, Rosaria Dal Ben, Diego Lambertucci, Catia Marucci, Gabriella Mishra, Ram Chandra Ramadori, Anna Teresa Klotz, Karl-Norbert Trincavelli, Maria Letizia Martini, Claudia Cristalli, Gloria Research Support, Non-U.S. Gov't Germany ChemMedChem ChemMedChem. 2009 Jun;4(6):1010-9..
15 years ago by @pharmawuerz
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Binding
&
therapy
Sites
Rats
Disease/*drug
Protein
Chemical
Animal
Animals
inhibitors/metabolism
Receptor
A2A/*antagonists
Simulation
derivatives/chemical
Adenine/*analogs
X-Ray
Models,
Adenosine
Disease
Humans
Crystallography,
Parkinson
Computer
synthesis/pharmacology
Binding&therapySitesRatsDisease/*drugProteinChemicalAnimalAnimalsinhibitors/metabolismReceptorA2A/*antagonistsSimulationderivatives/chemicalAdenine/*analogsX-RayModels,AdenosineDiseaseHumansCrystallography,ParkinsonComputersynthesis/pharmacology
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18-Bromo-9-alkyl adenine derivatives as tools for developing new adenosine A2A and A2B receptors ligands
C. Lambertucci, I. Antonini, M. Buccioni, D. Ben, D. Kachare, R. Volpini, K. Klotz, and G. Cristalli. Bioorg Med Chem, 17 (7): 2812-22 (April 2009)Lambertucci, Catia Antonini, Ippolito Buccioni, Michela Dal Ben, Diego Kachare, Dhuldeo D Volpini, Rosaria Klotz, Karl-Norbert Cristalli, Gloria Research Support, Non-U.S. Gov't England Bioorganic & medicinal chemistry Bioorg Med Chem. 2009 Apr 1;17(7):2812-22. Epub 2009 Feb 23..
15 years ago by @pharmawuerz
show all tags
Binding
Cricetinae
Cricetulus
&
Humans
CHO
Sites
Transfection
Animals
inhibitors/metabolism
Receptor
Molecular
A2B/*antagonists
A2A/*antagonists
Simulation
Adenine/*analogs
Relationship
Computer
Models,
derivatives/chemistry/pharmacology
Structure-Activity
Adenosine
Cell
BindingCricetinaeCricetulus&HumansCHOSitesTransfectionAnimalsinhibitors/metabolismReceptorMolecularA2B/*antagonistsA2A/*antagonistsSimulationAdenine/*analogsRelationshipComputerModels,derivatives/chemistry/pharmacologyStructure-ActivityAdenosineCell
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15'-Carbamoyl derivatives of 2'-C-methyl-purine nucleosides as selective A1 adenosine receptor agonists: affinity, efficacy, and selectivity for A1 receptor from different species
L. Cappellacci, P. Franchetti, P. Vita, R. Petrelli, A. Lavecchia, B. Costa, F. Spinetti, C. Martini, K. Klotz, and M. Grifantini. Bioorg Med Chem, 16 (1): 336-53 (January 2008)Cappellacci, Loredana Franchetti, Palmarisa Vita, Patrizia Petrelli, Riccardo Lavecchia, Antonio Costa, Barbara Spinetti, Francesca Martini, Claudia Klotz, Karl-Norbert Grifantini, Mario Research Support, Non-U.S. Gov't England Bioorganic & medicinal chemistry Bioorg Med Chem. 2008 Jan 1;16(1):336-53. Epub 2007 Sep 22..
15 years ago by @pharmawuerz
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Binding
Humans
Hydrophobicity
A1/*agonists
Protein
Animals
Swine
Receptor
Molecular
Electricity
Simulation
Carbamates/*chemistry
Relationship
Computer
Models,
Purine
Structure-Activity
Adenosine
Nucleosides/*chemistry/*pharmacology
Static
BindingHumansHydrophobicityA1/*agonistsProteinAnimalsSwineReceptorMolecularElectricitySimulationCarbamates/*chemistryRelationshipComputerModels,PurineStructure-ActivityAdenosineNucleosides/*chemistry/*pharmacologyStatic
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1Anion transport in heart.
J. Hume, D. Duan, M. Collier, J. Yamazaki, and B. Horowitz. Physiol. Rev., 80 (1): 31--81 (January 2000)
17 years ago by @hake
show all tags
p-Trifluoromethoxyphenylhydrazone,
Infusions,
Intravenous,
Ion
Edetic
Acetazolamide,
Transport,
Diphosphates,
Transport
Inbred
Animals,
Acid-Base
Female,
Media,
coli,
Agents,
Transmembrane
Cells,
Blood
Solutions,
Carbonyl
Dose-Response
Concentration,
Capillary
Anions,
AMP,
Relationship,
Anhydrase
Alkalies,
Binding
Escherichia
Channel
Biological
Carbon
Exercise,
Adult,
Cations,
Divalent,
Chickens,
Acids,
Dioxide,
Models,
Conductance
Permeability,
Heart
In
Cardiolipins,
4,4'-Diisothiocyanostilbene-2,2'-Disulfonic
Complex
Triphosphate,
Glycogen,
Expression,
Gene
T,
Drug,
Heart,
Sites,
Equilibrium,
Calcium,
Electric
Size,
Animal,
Humans,
Fibrosis
Glyburide,
Disease
Calcium
C57BL,
Chlorides,
Vitro,
Hypoglycemic
Carrier
Hypotonic
Regulator,
Cardiotonic
Culture
Cell
IV,
Pressure,
Hydrogen-Ion
Cystic
Channels,
Carbonic
Acid,
Chloride
Cattle,
Cyclic
Isoproterenol,
Adenosine
Cyanide
Arsenates,
Blockers,
Hypertension,
Anthranilic
Proteins,
Electron
Antibodies,
Inhibitors,
Rate,
Cultured,
Conductivity,
p-Trifluoromethoxyphenylhydrazone,Infusions,Intravenous,IonEdeticAcetazolamide,Transport,Diphosphates,TransportInbredAnimals,Acid-BaseFemale,Media,coli,Agents,TransmembraneCells,BloodSolutions,CarbonylDose-ResponseConcentration,CapillaryAnions,AMP,Relationship,AnhydraseAlkalies,BindingEscherichiaChannelBiologicalCarbonExercise,Adult,Cations,Divalent,Chickens,Acids,Dioxide,Models,ConductancePermeability,HeartInCardiolipins,4,4'-Diisothiocyanostilbene-2,2'-DisulfonicComplexTriphosphate,Glycogen,Expression,GeneT,Drug,Heart,Sites,Equilibrium,Calcium,ElectricSize,Animal,Humans,FibrosisGlyburide,DiseaseCalciumC57BL,Chlorides,Vitro,HypoglycemicCarrierHypotonicRegulator,CardiotonicCultureCellIV,Pressure,Hydrogen-IonCysticChannels,CarbonicAcid,ChlorideCattle,CyclicIsoproterenol,AdenosineCyanideArsenates,Blockers,Hypertension,AnthranilicProteins,ElectronAntibodies,Inhibitors,Rate,Cultured,Conductivity,
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1Light at the end of the Ca$^2+$-release channel tunnel: structures and mechanisms involved in ion translocation in ryanodine receptor channels.
A. Williams, D. West, and R. Sitsapesan. Q. Rev. Biophys., 34 (1): 61--104 (February 2001)
17 years ago by @hake
show all tags
Binding
Calcium,
Channel
Ion
Channels,
Support,
L-Type,
Cytoplasmic
Protein
Humans,
Molecular,
11388090
Receptor
Tacrolimus
Gating,
Models,
Animals,
Ryanodine
Nuclear,
Calcium
Gov't,
Research
Conformation,
Receptors,
Calmodulin,
Proteins,
Non-U.S.
Channel,
and
Release
Sites,
BindingCalcium,ChannelIonChannels,Support,L-Type,CytoplasmicProteinHumans,Molecular,11388090ReceptorTacrolimusGating,Models,Animals,RyanodineNuclear,CalciumGov't,ResearchConformation,Receptors,Calmodulin,Proteins,Non-U.S.Channel,andReleaseSites,
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1Brownian dynamics simulation of protein-protein diffusional encounter.
R. Gabdoulline, and R. Wade. Methods, 14 (3): 329--341 (March 1998)
17 years ago by @hake
show all tags
Binding
Escherichia
Trypanosoma
brucei,
cerevisiae,
Simulation,
Superoxide
Protozoan
9571088
Support,
Protein
Specificity,
Humans,
Substrate
Molecular,
Triose-Phosphate
Ions,
Thermodynamics,
Ribonucleases,
Chickens,
brucei
Models,
Software,
Animals,
Bacterial
Glyceraldehyde
Binding,
Fungal
coli,
3-Phosphate,
Gov't,
Research
Saccharomyces
Isomerase,
Comparative
Dismutase,
Ligands,
Diffusion,
Proteins,
Non-U.S.
Chemical,
Computer
Study,
Species
Electrostatics,
Sites,
BindingEscherichiaTrypanosomabrucei,cerevisiae,Simulation,SuperoxideProtozoan9571088Support,ProteinSpecificity,Humans,SubstrateMolecular,Triose-PhosphateIons,Thermodynamics,Ribonucleases,Chickens,bruceiModels,Software,Animals,BacterialGlyceraldehydeBinding,Fungalcoli,3-Phosphate,Gov't,ResearchSaccharomycesIsomerase,ComparativeDismutase,Ligands,Diffusion,Proteins,Non-U.S.Chemical,ComputerStudy,SpeciesElectrostatics,Sites,
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publications (hide)8
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1Combining selectivity and affinity predictions using an integrated Support Vector Machine (SVM) approach: An alternative tool to discriminate between the human adenosine A(2A) and A(3) receptor pyrazolo-triazolo-pyrimidine antagonists binding sites

1Phosducin-like protein regulates G-protein betagamma folding by interaction with tailless complex polypeptide-1alpha: dephosphorylation or splicing of PhLP turns the switch toward regulation of Gbetagamma folding

1Adenosine A2A receptor antagonists: new 8-substituted 9-ethyladenines as tools for in vivo rat models of Parkinson's disease

18-Bromo-9-alkyl adenine derivatives as tools for developing new adenosine A2A and A2B receptors ligands

15'-Carbamoyl derivatives of 2'-C-methyl-purine nucleosides as selective A1 adenosine receptor agonists: affinity, efficacy, and selectivity for A1 receptor from different species

1Anion transport in heart.

1Light at the end of the Ca$^2+$-release channel tunnel: structures and mechanisms involved in ion translocation in ryanodine receptor channels.

1Brownian dynamics simulation of protein-protein diffusional encounter.

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publications (hide)8 displayallpublications onlypublications per page5102050100 sort byadded attitleauthorpublication dateentry typehelp for advanced sorting... RSSBibTeXRDFmore...

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publications (hide)8
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