Homology Models of Melatonin Receptors: Challenges and Recent Advances
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...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
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MDPI AG
2013-04-01
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| Series: | International Journal of Molecular Sciences |
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| Online Access: | http://www.mdpi.com/1422-0067/14/4/8093 |
| _version_ | 1811293944167792640 |
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| author | Silvia Rivara Gilberto Spadoni Annalida Bedini Alessio Lodola Daniele Pala |
| author_facet | Silvia Rivara Gilberto Spadoni Annalida Bedini Alessio Lodola Daniele Pala |
| author_sort | Silvia Rivara |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-04-13T05:10:04Z |
| format | Article |
| id | doaj.art-552e9ac4d2cf4be59cd04fc4b258e8f4 |
| institution | Directory Open Access Journal |
| issn | 1422-0067 |
| language | English |
| last_indexed | 2024-04-13T05:10:04Z |
| publishDate | 2013-04-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | International Journal of Molecular Sciences |
| spelling | doaj.art-552e9ac4d2cf4be59cd04fc4b258e8f42022-12-22T03:01:04ZengMDPI AGInternational Journal of Molecular Sciences1422-00672013-04-011448093812110.3390/ijms14048093Homology Models of Melatonin Receptors: Challenges and Recent AdvancesSilvia RivaraGilberto SpadoniAnnalida BediniAlessio LodolaDaniele PalaMelatonin 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.http://www.mdpi.com/1422-0067/14/4/8093melatonin receptorsMT1MT2homology modelingstructure-activity relationshipsdockingmolecular dynamics simulations |
| spellingShingle | Silvia Rivara Gilberto Spadoni Annalida Bedini Alessio Lodola Daniele Pala Homology Models of Melatonin Receptors: Challenges and Recent Advances International Journal of Molecular Sciences melatonin receptors MT1 MT2 homology modeling structure-activity relationships docking molecular dynamics simulations |
| title | Homology Models of Melatonin Receptors: Challenges and Recent Advances |
| title_full | Homology Models of Melatonin Receptors: Challenges and Recent Advances |
| title_fullStr | Homology Models of Melatonin Receptors: Challenges and Recent Advances |
| title_full_unstemmed | Homology Models of Melatonin Receptors: Challenges and Recent Advances |
| title_short | Homology Models of Melatonin Receptors: Challenges and Recent Advances |
| title_sort | homology models of melatonin receptors challenges and recent advances |
| topic | melatonin receptors MT1 MT2 homology modeling structure-activity relationships docking molecular dynamics simulations |
| url | http://www.mdpi.com/1422-0067/14/4/8093 |
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