Int. J. Mol. Sci. 2013, 14(4), 8093-8121; doi:10.3390/ijms14048093

Homology Models of Melatonin Receptors: Challenges and Recent Advances

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Received: 7 March 2013; in revised form: 28 March 2013 / Accepted: 28 March 2013 / Published: 12 April 2013
(This article belongs to the Special Issue Advances in the Research of Melatonin)
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
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.
Keywords: melatonin receptors; MT1; MT2; homology modeling; structure-activity relationships; docking; molecular dynamics simulations
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MDPI and ACS Style

Pala, D.; Lodola, A.; Bedini, A.; Spadoni, G.; Rivara, S. Homology Models of Melatonin Receptors: Challenges and Recent Advances. Int. J. Mol. Sci. 2013, 14, 8093-8121.

AMA Style

Pala D, Lodola A, Bedini A, Spadoni G, Rivara S. Homology Models of Melatonin Receptors: Challenges and Recent Advances. International Journal of Molecular Sciences. 2013; 14(4):8093-8121.

Chicago/Turabian Style

Pala, Daniele; Lodola, Alessio; Bedini, Annalida; Spadoni, Gilberto; Rivara, Silvia. 2013. "Homology Models of Melatonin Receptors: Challenges and Recent Advances." Int. J. Mol. Sci. 14, no. 4: 8093-8121.

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