Melatonin exerts many of its actions through the activation of two G protein-coupled receptors (GPCRs), named MT1 and MT2. So far, a number of different MT1 and MT2 receptor homology models, built either from the prototypic structure of rhodopsin or from recently solved X-ray structures of druggable GPCRs, have been proposed. These receptor models differ in the binding modes hypothesized for melatonin and melatonergic ligands, with distinct patterns of ligand-receptor interactions and putative bioactive conformations of ligands. The receptor models will be described, and they will be discussed in light of the available information from mutagenesis experiments and ligand-based pharmacophore models. The ability of these ligand-receptor complexes to rationalize structure-activity relationships of known series of melatonergic compounds will be commented upon.

Homology models of melatonin receptors: challenges and recent advances / Pala, Daniele; Lodola, Alessio; Bedini, A.; Spadoni, G.; Rivara, Silvia. - In: INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES. - ISSN 1422-0067. - STAMPA. - 14:4(2013), pp. 8093-8121. [10.3390/ijms14048093]

Homology models of melatonin receptors: challenges and recent advances.

PALA, Daniele;LODOLA, Alessio;RIVARA, Silvia
2013-01-01

Abstract

Melatonin exerts many of its actions through the activation of two G protein-coupled receptors (GPCRs), named MT1 and MT2. So far, a number of different MT1 and MT2 receptor homology models, built either from the prototypic structure of rhodopsin or from recently solved X-ray structures of druggable GPCRs, have been proposed. These receptor models differ in the binding modes hypothesized for melatonin and melatonergic ligands, with distinct patterns of ligand-receptor interactions and putative bioactive conformations of ligands. The receptor models will be described, and they will be discussed in light of the available information from mutagenesis experiments and ligand-based pharmacophore models. The ability of these ligand-receptor complexes to rationalize structure-activity relationships of known series of melatonergic compounds will be commented upon.
2013
Homology models of melatonin receptors: challenges and recent advances / Pala, Daniele; Lodola, Alessio; Bedini, A.; Spadoni, G.; Rivara, Silvia. - In: INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES. - ISSN 1422-0067. - STAMPA. - 14:4(2013), pp. 8093-8121. [10.3390/ijms14048093]
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11381/2617847
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