Three-dimensional structure-activity relationship analysis between motilin and motilide using conformational analysis and a novel molecular superposing method |
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Authors: | Gouda H Sunazuka T Omura S Hirono S |
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Affiliation: | School of Pharmaceutical Sciences, Kitasato University, Tokyo, Japan. |
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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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