title: Homology modeling of MT1 and MT2 receptors.
abstract: Melatonin is a neurohormone synthesized and secreted mainly during the dark period of the circadian cycle by the pineal gland. It has already been proved to be involved in a number of chronobiological processes, most of them being mediated by its membranar receptors MT1 and MT2. Both are members of the GPCR class and, despite the interest they elicit, their 3D structure is still to be described. Models for both human MT1 and MT2 receptors have been constructed by homology modeling, using the X-ray structure of bovine rhodopsin as template. These models have been evaluated in terms of hydrophobic properties of the helices and refined to take into account the rearrangement of GPCRs necessary for their activation, thus leading to a putative activated model for each subtype.
authors.affiliation: Faculté des Sciences Pharmaceutiques et Biologiques, Laboratoire de Chimie Thérapeutique, EA 1043, 3, rue du Professeur Laguesse, BP 83, 59006 Lille Cedex, France.
authors.forename: Amaury
authors.initials: A
authors.lastname: Farce
authors.forename: Anton O
authors.initials: AO
authors.lastname: Chugunov
authors.forename: Cédric
authors.initials: C
authors.lastname: Logé
authors.forename: Ahmed
authors.initials: A
authors.lastname: Sabaouni
authors.forename: Saïd
authors.initials: S
authors.lastname: Yous
authors.forename: Sébastien
authors.initials: S
authors.lastname: Dilly
authors.forename: Nicolas
authors.initials: N
authors.lastname: Renault
authors.forename: Gérard
authors.initials: G
authors.lastname: Vergoten
authors.forename: Roman G
authors.initials: RG
authors.lastname: Efremov
authors.forename: Daniel
authors.initials: D
authors.lastname: Lesieur
authors.forename: Philippe
authors.initials: P
authors.lastname: Chavatte
mesh_terms: D000595:Amino Acid Sequence; D000818:Animals; D020134:Catalytic Domain; D002417:Cattle; D057927:Hydrophobic and Hydrophilic Interactions; D008024:Ligands; D008550:Melatonin / Q000737:chemistry / Q000378:metabolism; D008958:Models, Molecular; D008968:Molecular Conformation; D008969:Molecular Sequence Data; D044122:Receptor, Melatonin, MT1 / Q000737:chemistry* / Q000378:metabolism; D044123:Receptor, Melatonin, MT2 / Q000737:chemistry* / Q000378:metabolism; D012243:Rhodopsin / Q000737:chemistry / Q000378:metabolism; D016415:Sequence Alignment; D017386:Sequence Homology, Amino Acid
chemical_list: D008024:Ligands; D044122:Receptor, Melatonin, MT1; D044123:Receptor, Melatonin, MT2; D012243:Rhodopsin; D008550:Melatonin