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Molecular docking and drug discovery in β-adrenergic receptors
(Bentham Science Publishers B.V., 2017)
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 ...
Novel N-arylsulfonylindoles targeted as ligands of the 5-HT6 receptor. Insights on the influence of C-5 substitution on ligand affinity
(MDPI, 2021)
A new series of twenty-two C-5 substituted N-arylsulfonylindoles was prepared with the aim of exploring the influence of C-5 substitution on 5-HT6 receptor affinity. Eleven compounds showed moderate to high affinity at the ...
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, ...
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 modeling of high-affinity thyroid receptor-ligand complexes
(SPRINGER, 2010)
Understanding the molecular basis of the binding modes of natural and synthetic ligands to nuclear receptors is fundamental to our comprehension of the activation mechanism of this important class of hormone regulated ...
Structural modeling of high-affinity thyroid receptor-ligand complexes
(SpringerHeidelberg, 2010)
Understanding the molecular basis of the binding modes of natural and synthetic ligands to nuclear receptors is fundamental to our comprehension of the activation mechanism of this important class of hormone regulated ...
Computer-aided design of a novel ligand for retinoic acid receptor in cancer chemotherapy
(Wiley-Blackwell, 2005-05-05)
The isotypes of RAR and RXR are retinoic acid and retinoid X acid receptors, respectively, whose ligand-binding domain contains the ligand-dependent activation function, with distinct pharmacological targets for retinoids, ...
Computer-aided design of a novel ligand for retinoic acid receptor in cancer chemotherapy
(Wiley-Blackwell, 2005-05-05)
The isotypes of RAR and RXR are retinoic acid and retinoid X acid receptors, respectively, whose ligand-binding domain contains the ligand-dependent activation function, with distinct pharmacological targets for retinoids, ...