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Three-dimensional structure-activity relationship analysis between motilin and motilide using conformational analysis
1School of Pharmaceutical Sciences, Kitasato University, Tokyo, Japan.
Chemical & Pharmaceutical Bulletin
|November 22, 2000
Summary
Motilide and motilin share similar activity at the motilin receptor. Computational analysis revealed common three-dimensional structural features responsible for this shared agonist activity.
Area of Science:
- Pharmacology
- Computational Chemistry
- Structural Biology
Background:
- Motilide, an erythromycin derivative, exhibits similar agonist activity to motilin at the motilin receptor.
- Limited understanding exists regarding the three-dimensional (3D) structure-activity relationship (SAR) between motilide and motilin due to their distinct structures.
Purpose of the Study:
- To investigate the 3D SAR between motilide and motilin.
- To identify common structural features contributing to their similar agonist activity at the motilin receptor.
Main Methods:
- Employed a computational approach involving conformational analysis.
- Utilized a novel superposing method to compare molecular structures.
- Rational computational procedure applied to explore 3D SAR.
Main Results:
- Identified potential common 3D structural features between motilide and motilin.
- These shared features are proposed to underlie their comparable agonist activity.
Conclusions:
- The study elucidates key 3D structural similarities between motilide and motilin.
- These findings provide insights into the molecular basis of their shared motilin receptor agonism.