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Molecular docking and drug discovery in β-adrenergic receptors
(Bentham Science Publishers B.V., 2017)
Exponential consensus ranking improves the outcome in docking and receptor ensemble docking
(Nature Publishing Group, 2019-03)
Consensus-scoring methods are commonly used with molecular docking in virtual screening campaigns to filter potential ligands for a protein target. Traditional consensus methods combine results from different docking ...
Structural and Docking Studies of beta-lapachone Derivatives
(Int Union Crystallography, 2005-01-01)
Ligand- and Structure-Based Drug Design Strategies and PPAR delta/alpha Selectivity
(Wiley-BlackwellHoboken, 2012)
Peroxisome-proliferator-activated receptors are a class of nuclear receptors with three subtypes: a, ? and d. Their main function is regulating gene transcription related to lipid and carbohydrate metabolism. Currently, ...
Racemic salsolinol and its enantiomers act as agonists of the µ-opioid receptor by activating the Gi protein-adenylate cyclase pathway
(Frontiers Media S.A., 2017)
© 2017 Berríos-Cárcamo, Quintanilla, Herrera-Marschitz, Vasiliou, Zapata-Torres and Rivera-Meza. Background: Several studies have shown that the ethanol-derived metabolite salsolinol (SAL) can activate the mesolimbic system, ...
Ligand and decoy sets for docking to G protein-coupled receptors
(American Chemical Society, 2012-01)
We compiled a G protein-coupled receptor (GPCR) ligand library (GLL) for 147 targets, selecting for each ligand 39 decoy molecules, collected in the GPCR Decoy Database (GDD). Decoys were chosen ensuring a ligand-decoy ...
Synthesis, 5-hydroxytryptamine1A receptor affinity and docking studies of 3-[3-(4-aryl-1-piperazinyl)-propyl]-1H-indole derivatives
(Pharmaceutical Society of Japan, 2012)
Selectividad funcional del receptor opioide mu evaluado a través de simulaciones de dinámica molecular y cálculo de la energía libre
(Universidad Nacional Autónoma de México, 2016)