title: Three-dimensional structure-activity relationship analysis between motilin and motilide using conformational analysis and a novel molecular superposing method.
abstract: Motilide, an erythromycin derivative, has been shown to equal activity to that of motilin as an agonist at the motilin receptor. However, there is little information on the three-dimensional (3D) structure-activity relationship between these two molecules, largely because they have quite different structures. In this study, we applied a rational computational procedure consisting of conformational analysis and a novel superposing method to investigate the 3D structure-activity relationship between motilide and motilin. We propose common 3D structural features between these molecules, which may be important for their similar activity.
authors.affiliation: School of Pharmaceutical Sciences, Kitasato University, Tokyo, Japan.
authors.forename: H
authors.initials: H
authors.lastname: Gouda
authors.forename: T
authors.initials: T
authors.lastname: Sunazuka
authors.forename: S
authors.initials: S
authors.lastname: Omura
authors.forename: S
authors.initials: S
authors.lastname: Hirono
mesh_terms: D004917:Erythromycin / Q000031:analogs & derivatives* / Q000737:chemistry; D009682:Magnetic Resonance Spectroscopy; D008958:Models, Molecular; D008968:Molecular Conformation; D009037:Motilin / Q000031:analogs & derivatives* / Q000737:chemistry*; D013329:Structure-Activity Relationship
chemical_list: C421569:EM536; D009037:Motilin; D004917:Erythromycin