Three-dimensional structure-activity relationship analysis between motilin and motilide using conformational analysis and a novel molecular superposing method.

H Gouda; T Sunazuka; S Omura; S Hirono

doi:10.1248/cpb.48.1835

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Three-dimensional structure-activity relationship analysis between motilin and motilide using conformational analysis and a novel molecular superposing method.

H Gouda·T Sunazuka·S Omura·S Hirono

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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.

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Erythromycin Magnetic Resonance Spectroscopy Models, Molecular Molecular Conformation Motilin Structure-Activity Relationship Journal Article

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H Gouda, T Sunazuka, S Omura, S Hirono. 2000. Three-dimensional structure-activity relationship analysis between motilin and motilide using conformational analysis and a novel molecular superposing method.. https://doi.org/10.1248/cpb.48.1835

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