Structure-based discovery of prescription drugs that interact with the norepinephrine transporter, NET. - Test2 - elhamkhani - TriplyDB

Structure-based discovery of prescription drugs that interact with the norepinephrine transporter, NET.

Structure-based discovery of prescription drugs that interact with the norepinephrine transporter, NET.

http://www.wikidata.org/entity/Q35229337

about

Radiosynthesis and first preclinical evaluation of the novel norepinephrine transporter pet-ligand [(11)C]ME@HAPTHI Insights to ligand binding to the monoamine transporters-from homology modeling to LeuBAT and dDAT Designing modulators of monoamine transporters using virtual screening techniques SLC transporters as therapeutic targets: emerging opportunities Ligand pose and orientational sampling in molecular docking Towards structural systems pharmacology to study complex diseases and personalized medicine Ligand Discovery for the Alanine-Serine-Cysteine Transporter (ASCT2, SLC1A5) from Homology Modeling and Virtual Screening Novel molecular targets of dezocine and their clinical implications Targeting Neuroblastoma Cell Surface Proteins: Recommendations for Homology Modeling of hNET, ALK, and TrkB Exploring the Inhibitory Mechanism of Approved Selective Norepinephrine Reuptake Inhibitors and Reboxetine Enantiomers by Molecular Dynamics Study Coordinating the impact of structural genomics on the human α-helical transmembrane proteome Funnel metadynamics as accurate binding free-energy method Molecular modeling and ligand docking for solute carrier (SLC) transporters Computing Substrate Selectivity in a Peptide Transporter.Comparative metabolomics and structural characterizations illuminate colibactin pathway-dependent small molecules.Discovery of novel-scaffold monoamine transporter ligands via in silico screening with the S1 pocket of the serotonin transporter Identification of the substrate recognition and transport pathway in a eukaryotic member of the nucleobase-ascorbate transporter (NAT) family High selectivity of the γ-aminobutyric acid transporter 2 (GAT-2, SLC6A13) revealed by structure-based approach.Functional architecture of MFS D-glucose transporters.Mutational analysis of the high-affinity zinc binding site validates a refined human dopamine transporter homology model DFGmodel: predicting protein kinase structures in inactive states for structure-based discovery of type-II inhibitors Computational studies to predict or explain G protein coupled receptor polypharmacology Prediction of substrates for glutathione transferases by covalent docking.The physiological role of drug transporters.Statistical potential for modeling and ranking of protein-ligand interactions Inhibitor Discovery for the Human GLUT1 from Homology Modeling and Virtual Screening Monoamine transporter structure, function, dynamics, and drug discovery: a computational perspective.Structure-Based Identification of Inhibitors for the SLC13 Family of Na(+)/Dicarboxylate Cotransporters.Structure-based ligand discovery for the Large-neutral Amino Acid Transporter 1, LAT-1 LAT-1 activity of meta-substituted phenylalanine and tyrosine analogs SLC Transporters: Structure, Function, and Drug Discovery.Identification of novel serotonin transporter compounds by virtual screening.From local structure to a global framework: recognition of protein folds.Computational methods for the discovery of mood disorder therapies.Accurate Prediction of Ligand Affinities for a Proton-Dependent Oligopeptide Transporter.Rosetta Broker for membrane protein structure prediction: concentrative nucleoside transporter 3 and corticotropin-releasing factor receptor 1 test cases.Computational modeling to predict the functions and impact of drug transporters.Destabilization of MYC/MYCN by the mitochondrial inhibitors, metaiodobenzylguanidine, metformin and phenformin.Comparative modeling of the human monoamine transporters: similarities in substrate binding.Assignment of pterin deaminase activity to an enzyme of unknown function guided by homology modeling and docking.

P2860

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P2860

Structure-based discovery of prescription drugs that interact with the norepinephrine transporter, NET.

http://www.wikidata.org/entity/Q35229337

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2011 nî lūn-bûn

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2011 թուականի Սեպտեմբերին հրատարակուած գիտական յօդուած

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2011 թվականի սեպտեմբերին հրատարակված գիտական հոդված

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2011年の論文

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2011年論文

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2011年論文

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2011年論文

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2011年論文

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2011年論文

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2011年论文

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Proceedings of the National Academy of Sciences of the United States of America

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Structure-based discovery of p ...... repinephrine transporter, NET.

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Avner Schlessinger

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Ethan Geier

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Hao Fan

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Kathleen M Giacomini

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P2860

DrugBank: a comprehensive resource for in silico drug discovery and exploration

Expression cloning of a cocaine- and antidepressant-sensitive human noradrenaline transporter

Hierarchical docking of databases of multiple ligand conformations

ModBase, a database of annotated comparative protein structure models, and associated resources

Structure of a cation-bound multidrug and toxic compound extrusion transporter

Monoamine oxidases (MAO) in the pathogenesis of heart failure and ischemia/reperfusion injury

Improved prediction of protein side-chain conformations with SCWRL4

KEGG Atlas mapping for global analysis of metabolic pathways

Predicting new molecular targets for known drugs

The binding sites for cocaine and dopamine in the dopamine transporter overlap

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